Product Name

  • Name

    tert-Butyl [(1S,2R)-1-Benzyl-2-hydroxy-3-(isobutylamino)propyl]carbamate

  • EINECS 605-203-3
  • CAS No. 160232-08-6
  • Article Data76
  • CAS DataBase
  • Density 1.04 g/cm3
  • Solubility
  • Melting Point 145 °C
  • Formula C19H32N2O3
  • Boiling Point 484.697 °C at 760 mmHg
  • Molecular Weight 336.475
  • Flash Point 246.936 °C
  • Transport Information
  • Appearance White solid
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 160232-08-6 (tert-Butyl [(1S,2R)-1-Benzyl-2-hydroxy-3-(isobutylamino)propyl]carbamate)
  • Hazard Symbols
  • Synonyms Carbamicacid, [(1S,2R)-2-hydroxy-3-[(2-methylpropyl)amino]-1-(phenylmethyl)propyl]-,1,1-dimethylethyl ester (9CI);Carbamic acid,[2-hydroxy-3-[(2-methylpropyl)amino]-1-(phenylmethyl)propyl]-,1,1-dimethylethyl ester, [R-(R*,S*)]-;tert-Butyl[(1S,2R)-1-benzyl-2-hydroxy-3-(isobutylamino)propyl]carbamate;N-[(1S,2R)-2-Hydroxy-3-[(2-methylpropyl)amino]-1-(phenylmethyl)propyl]carbamic acid 1,1-Dimethylethyl Ester;
  • PSA 70.59000
  • LogP 3.51070

Synthetic route

isobutylamine
78-81-9

isobutylamine

(1-oxiranyl-2-phenylethyl)carbamic acid tert-butyl ester
98760-08-8, 98818-34-9, 98818-35-0, 103127-56-6, 98737-29-2

(1-oxiranyl-2-phenylethyl)carbamic acid tert-butyl ester

(2R,3S)-3-tert-butoxycarbonylamino-1-isobutylamino-4-phenyl-2-butanol
160232-08-6

(2R,3S)-3-tert-butoxycarbonylamino-1-isobutylamino-4-phenyl-2-butanol

Conditions
ConditionsYield
In isopropyl alcohol at 20℃;100%
In isopropyl alcohol at 60℃; for 6h;100%
In isopropyl alcohol at 60℃; Inert atmosphere;100%
isobutylamine
78-81-9

isobutylamine

tert-butyl ((2S,3S)-4-chloro-3-hydroxy-1-phenylbutan-2-yl)carbamate
165727-45-7

tert-butyl ((2S,3S)-4-chloro-3-hydroxy-1-phenylbutan-2-yl)carbamate

(2R,3S)-3-tert-butoxycarbonylamino-1-isobutylamino-4-phenyl-2-butanol
160232-08-6

(2R,3S)-3-tert-butoxycarbonylamino-1-isobutylamino-4-phenyl-2-butanol

Conditions
ConditionsYield
With potassium hydroxide In ethanol at 15 - 20℃; Large scale;97.3%
With sodium carbonate In water at 60 - 65℃; for 3h;105 g
With sodium carbonate In water at 60 - 65℃; for 3h;105 g
isobutylamine
78-81-9

isobutylamine

(2R,3S)-3-[N-(tert-butyloxycarbonyl)amino]-1,2-epoxy-4-phenylbutane
98760-08-8

(2R,3S)-3-[N-(tert-butyloxycarbonyl)amino]-1,2-epoxy-4-phenylbutane

(2R,3S)-3-tert-butoxycarbonylamino-1-isobutylamino-4-phenyl-2-butanol
160232-08-6

(2R,3S)-3-tert-butoxycarbonylamino-1-isobutylamino-4-phenyl-2-butanol

Conditions
ConditionsYield
In isopropyl alcohol at 20 - 30℃; Solvent;94.67%
In isopropyl alcohol at 80℃; for 2.5h;93%
In isopropyl alcohol at 80℃; for 2.5h;
isobutyraldehyde
78-84-2

isobutyraldehyde

(1S,2R)-(3-amino-1-benzyl-2-hydroxy-propyl)-carbamic acid tert butyl ester
162536-42-7

(1S,2R)-(3-amino-1-benzyl-2-hydroxy-propyl)-carbamic acid tert butyl ester

(2R,3S)-3-tert-butoxycarbonylamino-1-isobutylamino-4-phenyl-2-butanol
160232-08-6

(2R,3S)-3-tert-butoxycarbonylamino-1-isobutylamino-4-phenyl-2-butanol

Conditions
ConditionsYield
With sodium tris(acetoxy)borohydride In ethanol at 0 - 20℃; for 5h; Reagent/catalyst;81.6%
With hydrogen; platinum(IV) oxide In methanol under 7600 Torr; for 2h; Ambient temperature;80%
isobutylamine
78-81-9

isobutylamine

(2R,3S)-3-[N-(tert-butyloxycarbonyl)amino]-1,2-epoxy-4-phenylbutane
98760-08-8

(2R,3S)-3-[N-(tert-butyloxycarbonyl)amino]-1,2-epoxy-4-phenylbutane

A

tert-butyl [(1S,2R)-1-benzyl-2-hydroxy-3-(isobutylamino)propyl]-N-[(1S,2R)-1-benzyl-2-hydroxypropyl]carbamate

tert-butyl [(1S,2R)-1-benzyl-2-hydroxy-3-(isobutylamino)propyl]-N-[(1S,2R)-1-benzyl-2-hydroxypropyl]carbamate

B

(2R,3S)-3-tert-butoxycarbonylamino-1-isobutylamino-4-phenyl-2-butanol
160232-08-6

(2R,3S)-3-tert-butoxycarbonylamino-1-isobutylamino-4-phenyl-2-butanol

Conditions
ConditionsYield
In toluene at 20 - 30℃; Solvent;A n/a
B 80%
...Expand
isobutylamine
78-81-9

isobutylamine

(2R,3S)-3-tert-butoxycarbonylamino-1-isobutylamino-4-phenyl-2-butanol
160232-08-6

(2R,3S)-3-tert-butoxycarbonylamino-1-isobutylamino-4-phenyl-2-butanol

Conditions
ConditionsYield
With 3S-(N-t-butoxycarbonyl)amino-2R-hydroxy-4-phenylbut-1-yl toluenesulfonate In isopropyl alcohol; toluene at 80 - 85℃; for 1.5h;76.8%
C19H31N3O4
188404-01-5

C19H31N3O4

(2R,3S)-3-tert-butoxycarbonylamino-1-isobutylamino-4-phenyl-2-butanol
160232-08-6

(2R,3S)-3-tert-butoxycarbonylamino-1-isobutylamino-4-phenyl-2-butanol

Conditions
ConditionsYield
With hydrogen; nickel In tetrahydrofuran under 760 Torr; Ambient temperature;64%
2(R)-((tert-butyloxycarbonyl)amino)-1,4-dichloro-3(S)-hydroxybutane
326479-99-6

2(R)-((tert-butyloxycarbonyl)amino)-1,4-dichloro-3(S)-hydroxybutane

(2R,3S)-3-tert-butoxycarbonylamino-1-isobutylamino-4-phenyl-2-butanol
160232-08-6

(2R,3S)-3-tert-butoxycarbonylamino-1-isobutylamino-4-phenyl-2-butanol

Conditions
ConditionsYield
Multi-step reaction with 5 steps
1.1: p-TsOH*H2O / CH2Cl2
2.1: NaH / tetrahydrofuran
3.1: CuBr*SMe2 / tetrahydrofuran
4.1: p-TsOH*H2O
4.2: KOH / methanol
5.1: 90 percent / propan-2-ol / 5 h / 50 °C
View Scheme
Multi-step reaction with 5 steps
1: 100 percent / imidazole; DMAP / dimethylformamide / 12 h / 50 °C
2: 100 percent / NaH / tetrahydrofuran / 5 h / 0 °C
3: 75 percent / CuBr*Me2S / toluene; tetrahydrofuran / -78 - -20 °C
4: Bu4NF / tetrahydrofuran
5: 90 percent / propan-2-ol / 5 h / 50 °C
View Scheme
Multi-step reaction with 5 steps
1.1: 100 percent / imidazole; DMAP / dimethylformamide / 12 h / 50 °C
2.1: 100 percent / NaH / tetrahydrofuran / 5 h / 0 °C
3.1: 82 percent / Et3N / methanol / 18 h / 20 °C
4.1: TBAF / tetrahydrofuran / 0.67 h / 20 °C
4.2: 75 percent / KOH / methanol / 2 h / 20 °C
5.1: 90 percent / propan-2-ol / 5 h / 50 °C
View Scheme
N-t-butyloxycarbonyl-2(S)-(1(S)-t-butyldimethylsilyloxy-2-chloroethyl)aziridine
326480-01-7

N-t-butyloxycarbonyl-2(S)-(1(S)-t-butyldimethylsilyloxy-2-chloroethyl)aziridine

(2R,3S)-3-tert-butoxycarbonylamino-1-isobutylamino-4-phenyl-2-butanol
160232-08-6

(2R,3S)-3-tert-butoxycarbonylamino-1-isobutylamino-4-phenyl-2-butanol

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: 75 percent / CuBr*Me2S / toluene; tetrahydrofuran / -78 - -20 °C
2: Bu4NF / tetrahydrofuran
3: 90 percent / propan-2-ol / 5 h / 50 °C
View Scheme
Multi-step reaction with 3 steps
1.1: 82 percent / Et3N / methanol / 18 h / 20 °C
2.1: TBAF / tetrahydrofuran / 0.67 h / 20 °C
2.2: 75 percent / KOH / methanol / 2 h / 20 °C
3.1: 90 percent / propan-2-ol / 5 h / 50 °C
View Scheme
(S)-2-[(S)-2-Chloro-1-(tetrahydro-pyran-2-yloxy)-ethyl]-aziridine-1-carboxylic acid tert-butyl ester
357604-37-6

(S)-2-[(S)-2-Chloro-1-(tetrahydro-pyran-2-yloxy)-ethyl]-aziridine-1-carboxylic acid tert-butyl ester

(2R,3S)-3-tert-butoxycarbonylamino-1-isobutylamino-4-phenyl-2-butanol
160232-08-6

(2R,3S)-3-tert-butoxycarbonylamino-1-isobutylamino-4-phenyl-2-butanol

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1.1: CuBr*SMe2 / tetrahydrofuran
2.1: p-TsOH*H2O
2.2: KOH / methanol
3.1: 90 percent / propan-2-ol / 5 h / 50 °C
View Scheme
2(S)-t-butyldimethylsilyloxy-3(R)-(t-butyloxycarbonyl)amino-1,4-dichlorobutane
326480-00-6

2(S)-t-butyldimethylsilyloxy-3(R)-(t-butyloxycarbonyl)amino-1,4-dichlorobutane

(2R,3S)-3-tert-butoxycarbonylamino-1-isobutylamino-4-phenyl-2-butanol
160232-08-6

(2R,3S)-3-tert-butoxycarbonylamino-1-isobutylamino-4-phenyl-2-butanol

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1: 100 percent / NaH / tetrahydrofuran / 5 h / 0 °C
2: 75 percent / CuBr*Me2S / toluene; tetrahydrofuran / -78 - -20 °C
3: Bu4NF / tetrahydrofuran
4: 90 percent / propan-2-ol / 5 h / 50 °C
View Scheme
Multi-step reaction with 4 steps
1.1: 100 percent / NaH / tetrahydrofuran / 5 h / 0 °C
2.1: 82 percent / Et3N / methanol / 18 h / 20 °C
3.1: TBAF / tetrahydrofuran / 0.67 h / 20 °C
3.2: 75 percent / KOH / methanol / 2 h / 20 °C
4.1: 90 percent / propan-2-ol / 5 h / 50 °C
View Scheme
[(1R,2S)-3-Chloro-1-chloromethyl-2-(tetrahydro-pyran-2-yloxy)-propyl]-carbamic acid tert-butyl ester
357604-36-5

[(1R,2S)-3-Chloro-1-chloromethyl-2-(tetrahydro-pyran-2-yloxy)-propyl]-carbamic acid tert-butyl ester

(2R,3S)-3-tert-butoxycarbonylamino-1-isobutylamino-4-phenyl-2-butanol
160232-08-6

(2R,3S)-3-tert-butoxycarbonylamino-1-isobutylamino-4-phenyl-2-butanol

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1.1: NaH / tetrahydrofuran
2.1: CuBr*SMe2 / tetrahydrofuran
3.1: p-TsOH*H2O
3.2: KOH / methanol
4.1: 90 percent / propan-2-ol / 5 h / 50 °C
View Scheme
[(1S,2S)-1-Benzyl-3-chloro-2-(tetrahydro-pyran-2-yloxy)-propyl]-carbamic acid tert-butyl ester
357604-38-7

[(1S,2S)-1-Benzyl-3-chloro-2-(tetrahydro-pyran-2-yloxy)-propyl]-carbamic acid tert-butyl ester

(2R,3S)-3-tert-butoxycarbonylamino-1-isobutylamino-4-phenyl-2-butanol
160232-08-6

(2R,3S)-3-tert-butoxycarbonylamino-1-isobutylamino-4-phenyl-2-butanol

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1.1: p-TsOH*H2O
1.2: KOH / methanol
2.1: 90 percent / propan-2-ol / 5 h / 50 °C
View Scheme
2(S)-t-butyldimethylsilyloxy-3(S)-(t-butyloxycarbonyl)amino-1-chloro-4-phenylbutane
326480-02-8

2(S)-t-butyldimethylsilyloxy-3(S)-(t-butyloxycarbonyl)amino-1-chloro-4-phenylbutane

(2R,3S)-3-tert-butoxycarbonylamino-1-isobutylamino-4-phenyl-2-butanol
160232-08-6

(2R,3S)-3-tert-butoxycarbonylamino-1-isobutylamino-4-phenyl-2-butanol

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: Bu4NF / tetrahydrofuran
2: 90 percent / propan-2-ol / 5 h / 50 °C
View Scheme
(3S)-t-butyldimethylsilyloxy-(2R)-(t-butyloxycarbonyl)amino-4-chloro-1-phenylthiobutane
357604-39-8

(3S)-t-butyldimethylsilyloxy-(2R)-(t-butyloxycarbonyl)amino-4-chloro-1-phenylthiobutane

(2R,3S)-3-tert-butoxycarbonylamino-1-isobutylamino-4-phenyl-2-butanol
160232-08-6

(2R,3S)-3-tert-butoxycarbonylamino-1-isobutylamino-4-phenyl-2-butanol

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1.1: TBAF / tetrahydrofuran / 0.67 h / 20 °C
1.2: 75 percent / KOH / methanol / 2 h / 20 °C
2.1: 90 percent / propan-2-ol / 5 h / 50 °C
View Scheme
(2S,3S)-3-Amino-1-benzyloxy-4-phenyl-butan-2-ol
1053517-88-6

(2S,3S)-3-Amino-1-benzyloxy-4-phenyl-butan-2-ol

(2R,3S)-3-tert-butoxycarbonylamino-1-isobutylamino-4-phenyl-2-butanol
160232-08-6

(2R,3S)-3-tert-butoxycarbonylamino-1-isobutylamino-4-phenyl-2-butanol

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1: CH2Cl2 / 3 h / 23 °C
2: 356 mg / H2 / Pd(OH)2 / ethyl acetate; methanol / 12 h
3: 61 percent / PPh3, DEAD / CHCl3 / 72 h / Heating
4: propan-2-ol / 3.5 h / 68 °C
View Scheme
(4S,5S)-4-benzyl-5-benzyloxymethyl-1,3-oxazolidin-2-one
193953-56-9

(4S,5S)-4-benzyl-5-benzyloxymethyl-1,3-oxazolidin-2-one

(2R,3S)-3-tert-butoxycarbonylamino-1-isobutylamino-4-phenyl-2-butanol
160232-08-6

(2R,3S)-3-tert-butoxycarbonylamino-1-isobutylamino-4-phenyl-2-butanol

Conditions
ConditionsYield
Multi-step reaction with 5 steps
1: KOH / ethanol; H2O / 17 h / Heating
2: CH2Cl2 / 3 h / 23 °C
3: 356 mg / H2 / Pd(OH)2 / ethyl acetate; methanol / 12 h
4: 61 percent / PPh3, DEAD / CHCl3 / 72 h / Heating
5: propan-2-ol / 3.5 h / 68 °C
View Scheme
((1S,2S)-1-Benzyl-3-benzyloxy-2-hydroxy-propyl)-carbamic acid tert-butyl ester
193953-57-0

((1S,2S)-1-Benzyl-3-benzyloxy-2-hydroxy-propyl)-carbamic acid tert-butyl ester

(2R,3S)-3-tert-butoxycarbonylamino-1-isobutylamino-4-phenyl-2-butanol
160232-08-6

(2R,3S)-3-tert-butoxycarbonylamino-1-isobutylamino-4-phenyl-2-butanol

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: 356 mg / H2 / Pd(OH)2 / ethyl acetate; methanol / 12 h
2: 61 percent / PPh3, DEAD / CHCl3 / 72 h / Heating
3: propan-2-ol / 3.5 h / 68 °C
View Scheme
di-tert-butyl dicarbonate
24424-99-5

di-tert-butyl dicarbonate

(2R,3S)-3-tert-butoxycarbonylamino-1-isobutylamino-4-phenyl-2-butanol
160232-08-6

(2R,3S)-3-tert-butoxycarbonylamino-1-isobutylamino-4-phenyl-2-butanol

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1: CH2Cl2 / 3 h / 23 °C
2: 356 mg / H2 / Pd(OH)2 / ethyl acetate; methanol / 12 h
3: 61 percent / PPh3, DEAD / CHCl3 / 72 h / Heating
4: propan-2-ol / 3.5 h / 68 °C
View Scheme
(2S,3S)-3-(t-butoxycarbonylamino)-4-phenylbutane-1,2-diol
149451-80-9

(2S,3S)-3-(t-butoxycarbonylamino)-4-phenylbutane-1,2-diol

(2R,3S)-3-tert-butoxycarbonylamino-1-isobutylamino-4-phenyl-2-butanol
160232-08-6

(2R,3S)-3-tert-butoxycarbonylamino-1-isobutylamino-4-phenyl-2-butanol

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 61 percent / PPh3, DEAD / CHCl3 / 72 h / Heating
2: propan-2-ol / 3.5 h / 68 °C
View Scheme
N-tert-butoxycarbonyl-L-phenylalanine
13734-34-4

N-tert-butoxycarbonyl-L-phenylalanine

(2R,3S)-3-tert-butoxycarbonylamino-1-isobutylamino-4-phenyl-2-butanol
160232-08-6

(2R,3S)-3-tert-butoxycarbonylamino-1-isobutylamino-4-phenyl-2-butanol

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1: 1.) CDI, 2.) t-BuOK / 1.) THF, room temperature, 2 h, 2.) THF, room temperature, 15 h
2: 69 percent / NaBH4 / methanol; tetrahydrofuran / 1 h / 0 °C
3: 89 percent / H2 / Raney Ni / methanol / 17 h / 35 °C / 30400 Torr
4: 80 percent / H2 / PtO2 / methanol / 2 h / 7600 Torr / Ambient temperature
View Scheme
Multi-step reaction with 3 steps
1: 1.) CDI, 2.) t-BuOK / 1.) THF, room temperature, 2 h, 2.) THF, room temperature, 15 h
2: NaBH4, TiCl4 / 1,2-dimethoxy-ethane / 1 h / -5 °C
3: 80 percent / H2 / PtO2 / methanol / 2 h / 7600 Torr / Ambient temperature
View Scheme
Multi-step reaction with 3 steps
1: triethylamine
2: aluminum sec-butoxide / toluene; 2-methyl-propan-1-ol / 15 - 20 °C / Large scale
3: potassium hydroxide / ethanol / 15 - 20 °C / Large scale
View Scheme
Multi-step reaction with 5 steps
1.1: dmap; dicyclohexyl-carbodiimide / dichloromethane / 5 h / 20 °C
2.1: potassium hydroxide / N,N-dimethyl-formamide / 1 h / 10 - 25 °C
2.2: 20 - 25 °C
3.1: aluminum tri-tert-butoxide / isopropyl alcohol / 2 h / 60 - 65 °C
4.1: 5%-palladium/activated carbon; hydrogen / ethanol / 5 h / 30 - 40 °C / 3800.26 Torr
5.1: sodium tris(acetoxy)borohydride / ethanol / 5 h / 0 - 20 °C
View Scheme
Multi-step reaction with 5 steps
1.1: dmap; dicyclohexyl-carbodiimide / dichloromethane / 5 h / 20 °C
2.1: potassium tert-butylate / dimethyl sulfoxide / 1 h / 10 - 25 °C
2.2: 20 - 25 °C
3.1: aluminum tri-tert-butoxide / isopropyl alcohol / 2 h / 60 - 65 °C
4.1: 5%-palladium/activated carbon; hydrogen / ethanol / 5 h / 30 - 40 °C / 3800.26 Torr
5.1: sodium tris(acetoxy)borohydride / ethanol / 5 h / 0 - 20 °C
View Scheme
(2S,3R)-N-tert-butyloxycarbonyl-2-amino-3-hydroxy-1-phenyl-4-nitrobutane
161282-72-0

(2S,3R)-N-tert-butyloxycarbonyl-2-amino-3-hydroxy-1-phenyl-4-nitrobutane

(2R,3S)-3-tert-butoxycarbonylamino-1-isobutylamino-4-phenyl-2-butanol
160232-08-6

(2R,3S)-3-tert-butoxycarbonylamino-1-isobutylamino-4-phenyl-2-butanol

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 89 percent / H2 / Raney Ni / methanol / 17 h / 35 °C / 30400 Torr
2: 80 percent / H2 / PtO2 / methanol / 2 h / 7600 Torr / Ambient temperature
View Scheme
(S)-3-tert-butoxycarbonylamino-1-nitro-4-phenyl-2-butanone
174302-72-8

(S)-3-tert-butoxycarbonylamino-1-nitro-4-phenyl-2-butanone

(2R,3S)-3-tert-butoxycarbonylamino-1-isobutylamino-4-phenyl-2-butanol
160232-08-6

(2R,3S)-3-tert-butoxycarbonylamino-1-isobutylamino-4-phenyl-2-butanol

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: 69 percent / NaBH4 / methanol; tetrahydrofuran / 1 h / 0 °C
2: 89 percent / H2 / Raney Ni / methanol / 17 h / 35 °C / 30400 Torr
3: 80 percent / H2 / PtO2 / methanol / 2 h / 7600 Torr / Ambient temperature
View Scheme
Multi-step reaction with 2 steps
1: NaBH4, TiCl4 / 1,2-dimethoxy-ethane / 1 h / -5 °C
2: 80 percent / H2 / PtO2 / methanol / 2 h / 7600 Torr / Ambient temperature
View Scheme
Multi-step reaction with 3 steps
1: aluminum tri-tert-butoxide / isopropyl alcohol / 2 h / 60 - 65 °C
2: 5%-palladium/activated carbon; hydrogen / ethanol / 5 h / 30 - 40 °C / 3800.26 Torr
3: sodium tris(acetoxy)borohydride / ethanol / 5 h / 0 - 20 °C
View Scheme
N-nitroso-N-methylisobutylamine
34419-76-6

N-nitroso-N-methylisobutylamine

(2R,3S)-3-tert-butoxycarbonylamino-1-isobutylamino-4-phenyl-2-butanol
160232-08-6

(2R,3S)-3-tert-butoxycarbonylamino-1-isobutylamino-4-phenyl-2-butanol

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: 66 percent / LDA / tetrahydrofuran / -78 °C
2: 89 percent / H2 / 20percent Pd(OH)2/C / ethyl acetate / 760 Torr / Ambient temperature
3: 64 percent / H2 / Raney nickel / tetrahydrofuran / 760 Torr / Ambient temperature
View Scheme
(2S)-N,N-dibenzylphenylalaninal
123054-12-6, 123808-74-2, 136370-73-5, 111060-64-1

(2S)-N,N-dibenzylphenylalaninal

(2R,3S)-3-tert-butoxycarbonylamino-1-isobutylamino-4-phenyl-2-butanol
160232-08-6

(2R,3S)-3-tert-butoxycarbonylamino-1-isobutylamino-4-phenyl-2-butanol

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: 66 percent / LDA / tetrahydrofuran / -78 °C
2: 89 percent / H2 / 20percent Pd(OH)2/C / ethyl acetate / 760 Torr / Ambient temperature
3: 64 percent / H2 / Raney nickel / tetrahydrofuran / 760 Torr / Ambient temperature
View Scheme
Multi-step reaction with 5 steps
1: lithium / tetrahydrofuran / 3 h / -65 °C / Inert atmosphere
2: palladium hydroxide on carbon; hydrogen / methanol / 4 h / 20 °C / 760.05 Torr
3: triethylamine / tetrahydrofuran / 20 °C / Cooling with ice
4: potassium hydroxide / tetrahydrofuran; methanol / Cooling with ice
5: ethanol / 1 h / 78 °C / Inert atmosphere
View Scheme
C28H35N3O2
188404-00-4

C28H35N3O2

(2R,3S)-3-tert-butoxycarbonylamino-1-isobutylamino-4-phenyl-2-butanol
160232-08-6

(2R,3S)-3-tert-butoxycarbonylamino-1-isobutylamino-4-phenyl-2-butanol

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 89 percent / H2 / 20percent Pd(OH)2/C / ethyl acetate / 760 Torr / Ambient temperature
2: 64 percent / H2 / Raney nickel / tetrahydrofuran / 760 Torr / Ambient temperature
View Scheme
isopropylamine
75-31-0

isopropylamine

(1S,2R)-(3-amino-1-benzyl-2-hydroxy-propyl)-carbamic acid tert butyl ester
162536-42-7

(1S,2R)-(3-amino-1-benzyl-2-hydroxy-propyl)-carbamic acid tert butyl ester

(2R,3S)-3-tert-butoxycarbonylamino-1-isobutylamino-4-phenyl-2-butanol
160232-08-6

(2R,3S)-3-tert-butoxycarbonylamino-1-isobutylamino-4-phenyl-2-butanol

Conditions
ConditionsYield
In ethanol at 85℃; for 72h;0.56 g
isobutylamine
78-81-9

isobutylamine

((R)-1-Oxiranyl-2-phenyl-ethyl)-carbamic acid tert-butyl ester

((R)-1-Oxiranyl-2-phenyl-ethyl)-carbamic acid tert-butyl ester

(2R,3S)-3-tert-butoxycarbonylamino-1-isobutylamino-4-phenyl-2-butanol
160232-08-6

(2R,3S)-3-tert-butoxycarbonylamino-1-isobutylamino-4-phenyl-2-butanol

Conditions
ConditionsYield
In ethanol for 1h; Heating / reflux;
4-Nitrobenzenesulfonyl chloride
98-74-8

4-Nitrobenzenesulfonyl chloride

(2R,3S)-3-tert-butoxycarbonylamino-1-isobutylamino-4-phenyl-2-butanol
160232-08-6

(2R,3S)-3-tert-butoxycarbonylamino-1-isobutylamino-4-phenyl-2-butanol

[(1S,2R)-3-[(4-nitrophenylsulfonyl)(2-methylpropyl)amino]-2-hydroxy-1-(phenylmethyl)propyl]carbamic acid tert-butyl ester
191226-98-9

[(1S,2R)-3-[(4-nitrophenylsulfonyl)(2-methylpropyl)amino]-2-hydroxy-1-(phenylmethyl)propyl]carbamic acid tert-butyl ester

Conditions
ConditionsYield
With sodium hydrogencarbonate In dichloromethane; water at 20℃; for 21h;100%
With dmap; N-ethyl-N,N-diisopropylamine In tetrahydrofuran at 0 - 25℃; for 4h;98.2%
With sodium hydrogencarbonate In dichloromethane; water at 23℃; for 12h;96%
benzyl chloroformate
501-53-1

benzyl chloroformate

(2R,3S)-3-tert-butoxycarbonylamino-1-isobutylamino-4-phenyl-2-butanol
160232-08-6

(2R,3S)-3-tert-butoxycarbonylamino-1-isobutylamino-4-phenyl-2-butanol

[(2R,3S)-3-[[(1,1-dimethylethoxy)carbonyl]amino]-2-hydroxy-4-phenylbutyl](2-methylpropyl)carbamic acid phenylmethyl ester
160232-10-0

[(2R,3S)-3-[[(1,1-dimethylethoxy)carbonyl]amino]-2-hydroxy-4-phenylbutyl](2-methylpropyl)carbamic acid phenylmethyl ester

Conditions
ConditionsYield
With triethylamine In dichloromethane at -1.5 - 20℃; for 48h;100%
Stage #1: benzyl chloroformate; (2R,3S)-3-tert-butoxycarbonylamino-1-isobutylamino-4-phenyl-2-butanol With triethylamine In dichloromethane at -1.5 - 20℃; for 48h;
Stage #2: With sodium carbonate In dichloromethane; water for 0.166667h;		100%
With sodium carbonate In tetrahydrofuran at 5 - 10℃; for 3h;77%
benzothiazole-6-carboxylic acid
3622-35-3

benzothiazole-6-carboxylic acid

(2R,3S)-3-tert-butoxycarbonylamino-1-isobutylamino-4-phenyl-2-butanol
160232-08-6

(2R,3S)-3-tert-butoxycarbonylamino-1-isobutylamino-4-phenyl-2-butanol

tert-butyl (2S,3R)-3-hydroxy-4-(N-isobutylbenzo[d]thiazole-6-carboxamido)-1-phenylbutan-2-ylcarbamate
1160490-14-1

tert-butyl (2S,3R)-3-hydroxy-4-(N-isobutylbenzo[d]thiazole-6-carboxamido)-1-phenylbutan-2-ylcarbamate

Conditions
ConditionsYield
With triethylamine; HATU In dichloromethane at 20℃;100%
3-methyl-1H-indazole-5-sulfonyl chloride
869885-64-3

3-methyl-1H-indazole-5-sulfonyl chloride

(2R,3S)-3-tert-butoxycarbonylamino-1-isobutylamino-4-phenyl-2-butanol
160232-08-6

(2R,3S)-3-tert-butoxycarbonylamino-1-isobutylamino-4-phenyl-2-butanol

{1-benzyl-2-hydroxy-3-[isobutyl-(3-methyl-1H-indazole-5-sulfonyl)-amino]-propyl}-carbamic acid tert-butyl ester
869885-66-5

{1-benzyl-2-hydroxy-3-[isobutyl-(3-methyl-1H-indazole-5-sulfonyl)-amino]-propyl}-carbamic acid tert-butyl ester

Conditions
ConditionsYield
With sodium hydrogencarbonate In dichloromethane; water99%
4-trifluorophenylsulfonyl chloride
2991-42-6

4-trifluorophenylsulfonyl chloride

(2R,3S)-3-tert-butoxycarbonylamino-1-isobutylamino-4-phenyl-2-butanol
160232-08-6

(2R,3S)-3-tert-butoxycarbonylamino-1-isobutylamino-4-phenyl-2-butanol

tert-butyl ((2S,3R)-3-hydroxy-4-((N-isobutyl-4-(trifluoromethyl)phenyl)sulfonamido)-1-phenylbutan-2-yl)carbamate

tert-butyl ((2S,3R)-3-hydroxy-4-((N-isobutyl-4-(trifluoromethyl)phenyl)sulfonamido)-1-phenylbutan-2-yl)carbamate

Conditions
ConditionsYield
With dmap; N-ethyl-N,N-diisopropylamine In tetrahydrofuran at 0 - 25℃; for 4h;98.4%
With dmap; N-ethyl-N,N-diisopropylamine In tetrahydrofuran at 0 - 20℃; Inert atmosphere; Sealed tube;
4-Acetylbenzenesulfonyl chloride
1788-10-9

4-Acetylbenzenesulfonyl chloride

(2R,3S)-3-tert-butoxycarbonylamino-1-isobutylamino-4-phenyl-2-butanol
160232-08-6

(2R,3S)-3-tert-butoxycarbonylamino-1-isobutylamino-4-phenyl-2-butanol

tert-butyl ((2S,3R)-4-((4-acetyl-N-isobutylphenyl)sulfonamido)-3-hydroxy-1-phenylbutan-2-yl)carbamate
553644-88-5

tert-butyl ((2S,3R)-4-((4-acetyl-N-isobutylphenyl)sulfonamido)-3-hydroxy-1-phenylbutan-2-yl)carbamate

Conditions
ConditionsYield
With sodium carbonate In water; ethyl acetate at 20℃; for 18h; Inert atmosphere;98%
With triethylamine In dichloromethane
(2R,3S)-3-tert-butoxycarbonylamino-1-isobutylamino-4-phenyl-2-butanol
160232-08-6

(2R,3S)-3-tert-butoxycarbonylamino-1-isobutylamino-4-phenyl-2-butanol

(2R,3S)-3-amino-1-(isobutylamino)-4-phenyl-2-butanol
167011-40-7

(2R,3S)-3-amino-1-(isobutylamino)-4-phenyl-2-butanol

Conditions
ConditionsYield
With trifluoroacetic acid In dichloromethane for 5h;98%
4-methoxy-phenyl-sulphonyl chloride
98-68-0

4-methoxy-phenyl-sulphonyl chloride

(2R,3S)-3-tert-butoxycarbonylamino-1-isobutylamino-4-phenyl-2-butanol
160232-08-6

(2R,3S)-3-tert-butoxycarbonylamino-1-isobutylamino-4-phenyl-2-butanol

tert-butyl (1S,2R)-1-benzyl-2-hydroxy-3-{isobutyl[(4-methoxyphenyl)sulfonyl]amino}propylcarbamate
159006-03-8

tert-butyl (1S,2R)-1-benzyl-2-hydroxy-3-{isobutyl[(4-methoxyphenyl)sulfonyl]amino}propylcarbamate

Conditions
ConditionsYield
With dmap; N-ethyl-N,N-diisopropylamine In tetrahydrofuran at 0 - 25℃; for 4h;97.7%
With sodium hydrogencarbonate In dichloromethane; water at 23℃; for 16h;83%
With dmap; N-ethyl-N,N-diisopropylamine In tetrahydrofuran at 30℃; for 0.5h; Cooling with ice;82%
1-benzofuran-5-sulfonyl chloride
869885-60-9

1-benzofuran-5-sulfonyl chloride

(2R,3S)-3-tert-butoxycarbonylamino-1-isobutylamino-4-phenyl-2-butanol
160232-08-6

(2R,3S)-3-tert-butoxycarbonylamino-1-isobutylamino-4-phenyl-2-butanol

C27H36N2O6S
1007875-64-0

C27H36N2O6S

Conditions
ConditionsYield
With triethylamine In dichloromethane at 20℃; for 2.5h;92%
With triethylamine In dichloromethane at 20℃; for 2.5h;92%
With triethylamine In dichloromethane at 20℃; for 2.5h;92%
With triethylamine In dichloromethane at 20℃; for 2.5h;92%
p-acetylaminobenzenesulfonyl chloride
121-60-8

p-acetylaminobenzenesulfonyl chloride

(2R,3S)-3-tert-butoxycarbonylamino-1-isobutylamino-4-phenyl-2-butanol
160232-08-6

(2R,3S)-3-tert-butoxycarbonylamino-1-isobutylamino-4-phenyl-2-butanol

(1S,2R)-1-benzyl-2-hydroxy-3-[isobutyl-(4-acetylaminobenzenesulfonyl amino)propyl]carbamic acid tert-butyl ester
160230-47-7

(1S,2R)-1-benzyl-2-hydroxy-3-[isobutyl-(4-acetylaminobenzenesulfonyl amino)propyl]carbamic acid tert-butyl ester

Conditions
ConditionsYield
With triethylamine In N,N-dimethyl acetamide at 25 - 35℃; for 2h;90.56%
With triethylamine In dichloromethane at 0 - 30℃; for 1h; Concentration; Solvent;86.8%
With sodium hydrogencarbonate In dichloromethane; water for 14h;714.4 mg
In dichloromethane; water at 10 - 30℃; for 1h; Time;
4-(trifluoro-methoxy)benzene-1-sulfonyl chloride
94108-56-2

4-(trifluoro-methoxy)benzene-1-sulfonyl chloride

(2R,3S)-3-tert-butoxycarbonylamino-1-isobutylamino-4-phenyl-2-butanol
160232-08-6

(2R,3S)-3-tert-butoxycarbonylamino-1-isobutylamino-4-phenyl-2-butanol

N-[(1S,2R)-1-benzyl-2-hydroxy-3-[isobutyl[[(4-trifluoromethoxy)phenyl]sulfonyl]amino]propyl]carbamic acid tert-butyl ester
160232-85-9

N-[(1S,2R)-1-benzyl-2-hydroxy-3-[isobutyl[[(4-trifluoromethoxy)phenyl]sulfonyl]amino]propyl]carbamic acid tert-butyl ester

Conditions
ConditionsYield
With dmap; N-ethyl-N,N-diisopropylamine In tetrahydrofuran at 0 - 20℃;89.7%
With sodium carbonate In dichloromethane at 0 - 20℃;
(4-(chlorosulfonyl)phenyl)methylene diacetate
69232-47-9

(4-(chlorosulfonyl)phenyl)methylene diacetate

(2R,3S)-3-tert-butoxycarbonylamino-1-isobutylamino-4-phenyl-2-butanol
160232-08-6

(2R,3S)-3-tert-butoxycarbonylamino-1-isobutylamino-4-phenyl-2-butanol

(acetyloxy)(4-{[{(2R,3S)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-4-phenylbutyl}(isobutyl)amino]sulfonyl}phenyl)methyl Acetate
854745-35-0

(acetyloxy)(4-{[{(2R,3S)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-4-phenylbutyl}(isobutyl)amino]sulfonyl}phenyl)methyl Acetate

Conditions
ConditionsYield
With dmap; N-ethyl-N,N-diisopropylamine In tetrahydrofuran at 23℃; for 4h;88%
With triethylamine In tetrahydrofuran at 20℃; for 4h;
With triethylamine In tetrahydrofuran at 25℃; for 4h;
With dmap; N-ethyl-N,N-diisopropylamine In tetrahydrofuran at 0 - 20℃;
1-acetyl-2,3-dihydro-1H-indole-5-sulfonyl chloride
52206-05-0

1-acetyl-2,3-dihydro-1H-indole-5-sulfonyl chloride

(2R,3S)-3-tert-butoxycarbonylamino-1-isobutylamino-4-phenyl-2-butanol
160232-08-6

(2R,3S)-3-tert-butoxycarbonylamino-1-isobutylamino-4-phenyl-2-butanol

((2S,3R)-4-(1-acetyl-N-isobutylindoline-5-sulfonamido)-3-hydroxy-1-phenylbutan-2-yl)carbamate
1393348-48-5

((2S,3R)-4-(1-acetyl-N-isobutylindoline-5-sulfonamido)-3-hydroxy-1-phenylbutan-2-yl)carbamate

Conditions
ConditionsYield
With sodium hydrogencarbonate In dichloromethane86%
4-bromobenzenesulfonyl chloride
98-58-8

4-bromobenzenesulfonyl chloride

(2R,3S)-3-tert-butoxycarbonylamino-1-isobutylamino-4-phenyl-2-butanol
160232-08-6

(2R,3S)-3-tert-butoxycarbonylamino-1-isobutylamino-4-phenyl-2-butanol

C25H35BrN2O5S

C25H35BrN2O5S

Conditions
ConditionsYield
With triethylamine In dichloromethane at 0℃; for 16h; Inert atmosphere;86%
methyl N-[5-(chlorosulfonyl)-1H-benzimidazol-2-yl]carbamate
79213-74-4

methyl N-[5-(chlorosulfonyl)-1H-benzimidazol-2-yl]carbamate

(2R,3S)-3-tert-butoxycarbonylamino-1-isobutylamino-4-phenyl-2-butanol
160232-08-6

(2R,3S)-3-tert-butoxycarbonylamino-1-isobutylamino-4-phenyl-2-butanol

[(1S,2R)-2-hydroxy-3-[[[2-[(methoxycarbonyl)amino]-1H-benzimidazol-5-yl]sulfonyl]-(2-methylpropyl)amino]-1-(phenylmethyl)propyl]carbamic acid 1,1-dimethylethyl ester

[(1S,2R)-2-hydroxy-3-[[[2-[(methoxycarbonyl)amino]-1H-benzimidazol-5-yl]sulfonyl]-(2-methylpropyl)amino]-1-(phenylmethyl)propyl]carbamic acid 1,1-dimethylethyl ester

Conditions
ConditionsYield
With triethylamine In dichloromethane at 20℃; for 5h;85%
4-(methylsulfanyl)benzenesulfonyl chloride
1129-25-5

4-(methylsulfanyl)benzenesulfonyl chloride

(2R,3S)-3-tert-butoxycarbonylamino-1-isobutylamino-4-phenyl-2-butanol
160232-08-6

(2R,3S)-3-tert-butoxycarbonylamino-1-isobutylamino-4-phenyl-2-butanol

tert-butyl ((2S,3R)-3-hydroxy-4-((N-isobutyl-4-(methylthio)phenyl)sulfonamido)-1-phenylbutan-2-yl)carbamate

tert-butyl ((2S,3R)-3-hydroxy-4-((N-isobutyl-4-(methylthio)phenyl)sulfonamido)-1-phenylbutan-2-yl)carbamate

Conditions
ConditionsYield
With dmap; N-ethyl-N,N-diisopropylamine In tetrahydrofuran at 0 - 25℃;85%
(4-(chlorosulfonyl)phenyl)boronic acid

(4-(chlorosulfonyl)phenyl)boronic acid

(2R,3S)-3-tert-butoxycarbonylamino-1-isobutylamino-4-phenyl-2-butanol
160232-08-6

(2R,3S)-3-tert-butoxycarbonylamino-1-isobutylamino-4-phenyl-2-butanol

(4-(N-((2R,3S)-3-((tert-butoxycarbonyl)amino)-2-hydroxy-4-phenylbutyl)-N-isobutylsulfamoyl)phenyl)boronic acid

(4-(N-((2R,3S)-3-((tert-butoxycarbonyl)amino)-2-hydroxy-4-phenylbutyl)-N-isobutylsulfamoyl)phenyl)boronic acid

Conditions
ConditionsYield
With triethylamine In dichloromethane at 0 - 23℃; for 1h; Inert atmosphere;82%
benzo[1,3]dioxol-5-sulfonyl chloride
115010-10-1

benzo[1,3]dioxol-5-sulfonyl chloride

(2R,3S)-3-tert-butoxycarbonylamino-1-isobutylamino-4-phenyl-2-butanol
160232-08-6

(2R,3S)-3-tert-butoxycarbonylamino-1-isobutylamino-4-phenyl-2-butanol

N-[(1S,2R)-3-[[(benzo-[1,3]-dioxole-5-sulfonyl)](isobutyl)amino]-1-benzyl-2-hydroxypropyl]carbamic acid tert-butyl ester
160233-05-6

N-[(1S,2R)-3-[[(benzo-[1,3]-dioxole-5-sulfonyl)](isobutyl)amino]-1-benzyl-2-hydroxypropyl]carbamic acid tert-butyl ester

Conditions
ConditionsYield
With dmap; N-ethyl-N,N-diisopropylamine In tetrahydrofuran at 20℃; for 4h;81%
With N-ethyl-N,N-diisopropylamine; dmap In tetrahydrofuran at 20℃; for 4h;81%
With dmap; N-ethyl-N,N-diisopropylamine In tetrahydrofuran at 0 - 20℃;71.2%
(2R,3S)-3-tert-butoxycarbonylamino-1-isobutylamino-4-phenyl-2-butanol
160232-08-6

(2R,3S)-3-tert-butoxycarbonylamino-1-isobutylamino-4-phenyl-2-butanol

6-methoxypyridin-3-ylsulfonyl chloride
312300-42-8

6-methoxypyridin-3-ylsulfonyl chloride

tert-butyl ((2S,3R)-3-hydroxy-4-((N-isobutyl-6-methoxypyridine)-3-sulfonamido)-1-phenylbutan-2-yl)carbamate

tert-butyl ((2S,3R)-3-hydroxy-4-((N-isobutyl-6-methoxypyridine)-3-sulfonamido)-1-phenylbutan-2-yl)carbamate

Conditions
ConditionsYield
With dmap; N-ethyl-N,N-diisopropylamine In tetrahydrofuran at 0 - 25℃;80%
4-vinylbenzenesulfonyl chloride
2633-67-2

4-vinylbenzenesulfonyl chloride

(2R,3S)-3-tert-butoxycarbonylamino-1-isobutylamino-4-phenyl-2-butanol
160232-08-6

(2R,3S)-3-tert-butoxycarbonylamino-1-isobutylamino-4-phenyl-2-butanol

tert-butyl ((2S,3R)-3-hydroxy-4-(N-isobutyl-4-vinylphenylsulfonamido)-1-phenylbutan-2-yl)carbamate
854739-70-1

tert-butyl ((2S,3R)-3-hydroxy-4-(N-isobutyl-4-vinylphenylsulfonamido)-1-phenylbutan-2-yl)carbamate

Conditions
ConditionsYield
With sodium carbonate In water; ethyl acetate at 20℃; for 18h; Inert atmosphere;77%
With triethylamine In dichloromethane at 25℃; for 3h;54%
(fluorenylmethoxy)carbonyl chloride
28920-43-6

(fluorenylmethoxy)carbonyl chloride

(2R,3S)-3-tert-butoxycarbonylamino-1-isobutylamino-4-phenyl-2-butanol
160232-08-6

(2R,3S)-3-tert-butoxycarbonylamino-1-isobutylamino-4-phenyl-2-butanol

C34H42N2O5
1160051-76-2

C34H42N2O5

Conditions
ConditionsYield
With triethylamine In dichloromethane at 20℃; for 1h;76%
3,4-dimethoxybenzene-1-sulfonyl chloride
23095-31-0

3,4-dimethoxybenzene-1-sulfonyl chloride

(2R,3S)-3-tert-butoxycarbonylamino-1-isobutylamino-4-phenyl-2-butanol
160232-08-6

(2R,3S)-3-tert-butoxycarbonylamino-1-isobutylamino-4-phenyl-2-butanol

(1S,2R)-{1-benzyl-3-[(3,4-dimethoxybenzenesulfonyl)isobutylamino]-2-hydroxypropyl}carbamic tertbutyl ester

(1S,2R)-{1-benzyl-3-[(3,4-dimethoxybenzenesulfonyl)isobutylamino]-2-hydroxypropyl}carbamic tertbutyl ester

Conditions
ConditionsYield
With dmap; N-ethyl-N,N-diisopropylamine In tetrahydrofuran at 0 - 20℃;65.3%
With sodium hydrogencarbonate In dichloromethane; water for 14h;
With triethylamine In dichloromethane at 20℃; for 24h; Inert atmosphere;

Carbamic acid,N-[(1S,2R)-2-hydroxy-3-[(2-methylpropyl)amino]-1-(phenylmethyl)propyl]-,1,1-dimethylethyl ester Specification

The Carbamic acid,N-[(1S,2R)-2-hydroxy-3-[(2-methylpropyl)amino]-1-(phenylmethyl)propyl]-,1,1-dimethylethyl ester with CAS registry number of 160232-08-6 is also known as tert-Butyl [(2S,3R)-3-hydroxy-4-(isobutylamino)-1-phenylbutan-2-yl]carbamate. The systematic name is tert-Butyl {(1S,2R)-1-benzyl-2-hydroxy-3-[(2-methylpropyl)amino]propyl}carbamat. This chemical is a white solid and it belongs to product categories of Aromatics; Chiral Reagents. In addition, the formula is C19H32N2O3 and the molecular weight is 336.47.

Physical properties about Carbamic acid,N-[(1S,2R)-2-hydroxy-3-[(2-methylpropyl)amino]-1-(phenylmethyl)propyl]-,1,1-dimethylethyl ester are: (1)ACD/LogP: 2.63; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 4; (7)ACD/KOC (pH 5.5): 3; (8)ACD/KOC (pH 7.4): 20; (9)#H bond acceptors: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 11; (12)Polar Surface Area: 70.59Å2; (13)Index of Refraction: 1.512; (14)Molar Refractivity: 97.105 cm3; (15)Molar Volume: 323.623 cm3; (16)Polarizability: 38.495×10-24cm3; (17)Surface Tension: 38.499 dyne/cm; (18)Density: 1.04 g/cm3; (19)Flash Point: 246.936 °C; (20)Enthalpy of Vaporization: 79.003 kJ/mol; (21)Boiling Point: 484.697 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
1. SMILES: O=C(OC(C)(C)C)N[C@@H](Cc1ccccc1)[C@H](O)CNCC(C)C
2. InChI: InChI=1/C19H32N2O3/c1-14(2)12-20-13-17(22)16(11-15-9-7-6-8-10-15)21-18(23)24-19(3,4)5/h6-10,14,16-17,20,22H,11-13H2,1-5H3,(H,21,23)/t16-,17+/m0/s1
3. InChIKey: NVEPLQDORJSXRO-DLBZAZTEBN
4. Std. InChI: InChI=1S/C19H32N2O3/c1-14(2)12-20-13-17(22)16(11-15-9-7-6-8-10-15)21-18(23)24-19(3,4)5/h6-10,14,16-17,20,22H,11-13H2,1-5H3,(H,21,23)/t16-,17+/m0/s1
5. Std. InChIKey: NVEPLQDORJSXRO-DLBZAZTESA-N

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