Product Name

  • Name

    2-AMINO-2-METHYL-BUTYRIC ACID METHYL ESTER HYDROCHLORIDE

  • EINECS
  • CAS No. 156032-14-3
  • Density
  • Solubility
  • Melting Point
  • Formula C6H13NO2.ClH
  • Boiling Point
  • Molecular Weight 167.636
  • Flash Point
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 156032-14-3 (2-AMINO-2-METHYL-BUTYRIC ACID METHYL ESTER HYDROCHLORIDE)
  • Hazard Symbols
  • Synonyms DL-Isovaline,methyl ester, hydrochloride;Isovaline, methyl ester, hydrochloride (9CI);2-Amino-2-methylbutyric acid methyl ester hydrochloride;
  • PSA 52.32000
  • LogP 1.78910

Synthetic route

Z-Aib-OH
15030-72-5

Z-Aib-OH

(±)-2-methyl-2-aminobutanoic acid methyl ester hydrochloride
156032-14-3

(±)-2-methyl-2-aminobutanoic acid methyl ester hydrochloride

Z-Aib-DL-Iva-OMe
156032-15-4

Z-Aib-DL-Iva-OMe

Conditions
ConditionsYield
With benzotriazol-1-ol; triethylamine; dicyclohexyl-carbodiimide In N,N-dimethyl-formamide for 48h; Ambient temperature;93%
(±)-2-methyl-2-aminobutanoic acid methyl ester hydrochloride
156032-14-3

(±)-2-methyl-2-aminobutanoic acid methyl ester hydrochloride

2-nitrobenzyl chloride
610-14-0

2-nitrobenzyl chloride

methyl 2-methyl-2-(2-nitrobenzamido)butanoate
1444223-97-5

methyl 2-methyl-2-(2-nitrobenzamido)butanoate

Conditions
ConditionsYield
With N-ethyl-N,N-diisopropylamine In dichloromethane at 20℃; for 4h;83%
4-chloro-3-(trifluoromethyl)phenyl isocyanate
327-78-6

4-chloro-3-(trifluoromethyl)phenyl isocyanate

(±)-2-methyl-2-aminobutanoic acid methyl ester hydrochloride
156032-14-3

(±)-2-methyl-2-aminobutanoic acid methyl ester hydrochloride

2-<3-(4-Chlor-α,α,α-trifluor-m-tolyl)ureido>-2-methylbuttersaeuremethylester

2-<3-(4-Chlor-α,α,α-trifluor-m-tolyl)ureido>-2-methylbuttersaeuremethylester

Conditions
ConditionsYield
With sodium carbonate In tetrahydrofuran for 18h; Heating;1.8 g
(±)-2-methyl-2-aminobutanoic acid methyl ester hydrochloride
156032-14-3

(±)-2-methyl-2-aminobutanoic acid methyl ester hydrochloride

2-methyl-2-{[1-(2-phenoxy-ethoxy)-naphthalene-2-carbonyl]-amino}-butyric acid methyl ester
1000922-63-3

2-methyl-2-{[1-(2-phenoxy-ethoxy)-naphthalene-2-carbonyl]-amino}-butyric acid methyl ester

Conditions
ConditionsYield
Stage #1: 1-(2-phenoxy-ethoxy)-naphthalene-2-carboxylic acid With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 0℃; for 0.5h;
Stage #2: (±)-2-methyl-2-aminobutanoic acid methyl ester hydrochloride In N,N-dimethyl-formamide at 0 - 20℃; for 16h;
(±)-2-methyl-2-aminobutanoic acid methyl ester hydrochloride
156032-14-3

(±)-2-methyl-2-aminobutanoic acid methyl ester hydrochloride

HCl*H-Aib-DL-Iva-OMe

HCl*H-Aib-DL-Iva-OMe

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 93 percent / 1-hydroxybenzotriazole (HOBt), N,N'-dicyclohexylcarbodiimide (DCC), Et3N / dimethylformamide / 48 h / Ambient temperature
2: 98 percent / 1 N aq. HCl, H2 / 10percent Pd/C / methanol
View Scheme
(±)-2-methyl-2-aminobutanoic acid methyl ester hydrochloride
156032-14-3

(±)-2-methyl-2-aminobutanoic acid methyl ester hydrochloride

Z-Val-Aib-DL-Iva-OMe
156032-17-6

Z-Val-Aib-DL-Iva-OMe

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: 93 percent / 1-hydroxybenzotriazole (HOBt), N,N'-dicyclohexylcarbodiimide (DCC), Et3N / dimethylformamide / 48 h / Ambient temperature
2: 98 percent / 1 N aq. HCl, H2 / 10percent Pd/C / methanol
3: 75 percent / 1-hydroxybenzotriazole (HOBt), N,N'-dicyclohexylcarbodiimide (DCC), Et3N / dimethylformamide / 48 h / Ambient temperature
View Scheme
(±)-2-methyl-2-aminobutanoic acid methyl ester hydrochloride
156032-14-3

(±)-2-methyl-2-aminobutanoic acid methyl ester hydrochloride

HCl*H-Val-Aib-DL-Iva-OMe

HCl*H-Val-Aib-DL-Iva-OMe

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1: 93 percent / 1-hydroxybenzotriazole (HOBt), N,N'-dicyclohexylcarbodiimide (DCC), Et3N / dimethylformamide / 48 h / Ambient temperature
2: 98 percent / 1 N aq. HCl, H2 / 10percent Pd/C / methanol
3: 75 percent / 1-hydroxybenzotriazole (HOBt), N,N'-dicyclohexylcarbodiimide (DCC), Et3N / dimethylformamide / 48 h / Ambient temperature
4: 93 percent / 1 N aq. HCl, H2 / 10percent Pd/C / methanol
View Scheme
(±)-2-methyl-2-aminobutanoic acid methyl ester hydrochloride
156032-14-3

(±)-2-methyl-2-aminobutanoic acid methyl ester hydrochloride

Z-Pro-Val-Aib-DL-Iva-OMe
156032-19-8

Z-Pro-Val-Aib-DL-Iva-OMe

Conditions
ConditionsYield
Multi-step reaction with 5 steps
1: 93 percent / 1-hydroxybenzotriazole (HOBt), N,N'-dicyclohexylcarbodiimide (DCC), Et3N / dimethylformamide / 48 h / Ambient temperature
2: 98 percent / 1 N aq. HCl, H2 / 10percent Pd/C / methanol
3: 75 percent / 1-hydroxybenzotriazole (HOBt), N,N'-dicyclohexylcarbodiimide (DCC), Et3N / dimethylformamide / 48 h / Ambient temperature
4: 93 percent / 1 N aq. HCl, H2 / 10percent Pd/C / methanol
5: 79 percent / 1-hydroxybenzotriazole (HOBt), N,N'-dicyclohexylcarbodiimide (DCC), Et3N / dimethylformamide / 48 h / Ambient temperature
View Scheme
(±)-2-methyl-2-aminobutanoic acid methyl ester hydrochloride
156032-14-3

(±)-2-methyl-2-aminobutanoic acid methyl ester hydrochloride

Z-Pro-Val-Aib-DL-Iva-OH
156032-20-1

Z-Pro-Val-Aib-DL-Iva-OH

Conditions
ConditionsYield
Multi-step reaction with 6 steps
1: 93 percent / 1-hydroxybenzotriazole (HOBt), N,N'-dicyclohexylcarbodiimide (DCC), Et3N / dimethylformamide / 48 h / Ambient temperature
2: 98 percent / 1 N aq. HCl, H2 / 10percent Pd/C / methanol
3: 75 percent / 1-hydroxybenzotriazole (HOBt), N,N'-dicyclohexylcarbodiimide (DCC), Et3N / dimethylformamide / 48 h / Ambient temperature
4: 93 percent / 1 N aq. HCl, H2 / 10percent Pd/C / methanol
5: 79 percent / 1-hydroxybenzotriazole (HOBt), N,N'-dicyclohexylcarbodiimide (DCC), Et3N / dimethylformamide / 48 h / Ambient temperature
6: 77 percent / NaOH / methanol
View Scheme
(±)-2-methyl-2-aminobutanoic acid methyl ester hydrochloride
156032-14-3

(±)-2-methyl-2-aminobutanoic acid methyl ester hydrochloride

H-Pro-Val-Aib-DL-Iva-Gln-Gln-Lol

H-Pro-Val-Aib-DL-Iva-Gln-Gln-Lol

Conditions
ConditionsYield
Multi-step reaction with 8 steps
1: 93 percent / 1-hydroxybenzotriazole (HOBt), N,N'-dicyclohexylcarbodiimide (DCC), Et3N / dimethylformamide / 48 h / Ambient temperature
2: 98 percent / 1 N aq. HCl, H2 / 10percent Pd/C / methanol
3: 75 percent / 1-hydroxybenzotriazole (HOBt), N,N'-dicyclohexylcarbodiimide (DCC), Et3N / dimethylformamide / 48 h / Ambient temperature
4: 93 percent / 1 N aq. HCl, H2 / 10percent Pd/C / methanol
5: 79 percent / 1-hydroxybenzotriazole (HOBt), N,N'-dicyclohexylcarbodiimide (DCC), Et3N / dimethylformamide / 48 h / Ambient temperature
6: 77 percent / NaOH / methanol
7: 61 percent / 1-hydroxybenzotriazole (HOBt), N,N'-dicyclohexylcarbodiimide (DCC), Et3N / dimethylformamide / 24 h / Ambient temperature
8: 94.3 percent / H2 / 10percent Pd/C / methanol
View Scheme
(±)-2-methyl-2-aminobutanoic acid methyl ester hydrochloride
156032-14-3

(±)-2-methyl-2-aminobutanoic acid methyl ester hydrochloride

Z-Pro-Val-Aib-DL-Iva-Gln-Gln-Lol

Z-Pro-Val-Aib-DL-Iva-Gln-Gln-Lol

Conditions
ConditionsYield
Multi-step reaction with 7 steps
1: 93 percent / 1-hydroxybenzotriazole (HOBt), N,N'-dicyclohexylcarbodiimide (DCC), Et3N / dimethylformamide / 48 h / Ambient temperature
2: 98 percent / 1 N aq. HCl, H2 / 10percent Pd/C / methanol
3: 75 percent / 1-hydroxybenzotriazole (HOBt), N,N'-dicyclohexylcarbodiimide (DCC), Et3N / dimethylformamide / 48 h / Ambient temperature
4: 93 percent / 1 N aq. HCl, H2 / 10percent Pd/C / methanol
5: 79 percent / 1-hydroxybenzotriazole (HOBt), N,N'-dicyclohexylcarbodiimide (DCC), Et3N / dimethylformamide / 48 h / Ambient temperature
6: 77 percent / NaOH / methanol
7: 61 percent / 1-hydroxybenzotriazole (HOBt), N,N'-dicyclohexylcarbodiimide (DCC), Et3N / dimethylformamide / 24 h / Ambient temperature
View Scheme
(±)-2-methyl-2-aminobutanoic acid methyl ester hydrochloride
156032-14-3

(±)-2-methyl-2-aminobutanoic acid methyl ester hydrochloride

3-(4-Chlor-α,α,α-trifluor-m-tolyl)-5-ethyl-5-methylhydantoin
92668-60-5

3-(4-Chlor-α,α,α-trifluor-m-tolyl)-5-ethyl-5-methylhydantoin

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 1.8 g / Na2CO3 / tetrahydrofuran / 18 h / Heating
2: HCl (6N) / acetone / 1.5 h / Heating
View Scheme
(±)-2-methyl-2-aminobutanoic acid methyl ester hydrochloride
156032-14-3

(±)-2-methyl-2-aminobutanoic acid methyl ester hydrochloride

C18H19N3O4S
1431140-96-3

C18H19N3O4S

Conditions
ConditionsYield
Multi-step reaction with 6 steps
1: N-ethyl-N,N-diisopropylamine / dichloromethane / 4 h / 20 °C
2: lithium hydroxide; water / tetrahydrofuran; methanol
3: hydrogen; palladium 10% on activated carbon / methanol / 3 h / 760.05 Torr
4: acetic acid / 1 h / 150 - 200 °C
5: chloroform / 20 h / 65 °C
6: pyridine / 16 h / 70 °C
View Scheme
(±)-2-methyl-2-aminobutanoic acid methyl ester hydrochloride
156032-14-3

(±)-2-methyl-2-aminobutanoic acid methyl ester hydrochloride

C18H17F2N3O4S
1431141-05-7

C18H17F2N3O4S

Conditions
ConditionsYield
Multi-step reaction with 6 steps
1: N-ethyl-N,N-diisopropylamine / dichloromethane / 4 h / 20 °C
2: lithium hydroxide; water / tetrahydrofuran; methanol
3: hydrogen; palladium 10% on activated carbon / methanol / 3 h / 760.05 Torr
4: acetic acid / 1 h / 150 - 200 °C
5: chloroform / 20 h / 65 °C
6: pyridine / 16 h / 70 °C
View Scheme
(±)-2-methyl-2-aminobutanoic acid methyl ester hydrochloride
156032-14-3

(±)-2-methyl-2-aminobutanoic acid methyl ester hydrochloride

C18H17F2N3O4S
1431141-21-7

C18H17F2N3O4S

Conditions
ConditionsYield
Multi-step reaction with 7 steps
1: N-ethyl-N,N-diisopropylamine / dichloromethane / 4 h / 20 °C
2: lithium hydroxide; water / tetrahydrofuran; methanol
3: hydrogen; palladium 10% on activated carbon / methanol / 3 h / 760.05 Torr
4: acetic acid / 1 h / 150 - 200 °C
5: chiral ReproSil column chromatography / methanol / Resolution of racemate
6: chloroform / 65 °C
7: pyridine / dichloromethane / 20 °C
View Scheme
(±)-2-methyl-2-aminobutanoic acid methyl ester hydrochloride
156032-14-3

(±)-2-methyl-2-aminobutanoic acid methyl ester hydrochloride

C19H21N3O4S
1431141-12-6

C19H21N3O4S

Conditions
ConditionsYield
Multi-step reaction with 6 steps
1: N-ethyl-N,N-diisopropylamine / dichloromethane / 4 h / 20 °C
2: lithium hydroxide; water / tetrahydrofuran; methanol
3: hydrogen; palladium 10% on activated carbon / methanol / 3 h / 760.05 Torr
4: acetic acid / 1 h / 150 - 200 °C
5: chloroform / 20 h / 65 °C
6: pyridine / 16 h / 70 °C
View Scheme
(±)-2-methyl-2-aminobutanoic acid methyl ester hydrochloride
156032-14-3

(±)-2-methyl-2-aminobutanoic acid methyl ester hydrochloride

C19H21N3O4S
1431140-97-4

C19H21N3O4S

Conditions
ConditionsYield
Multi-step reaction with 6 steps
1: N-ethyl-N,N-diisopropylamine / dichloromethane / 4 h / 20 °C
2: lithium hydroxide; water / tetrahydrofuran; methanol
3: hydrogen; palladium 10% on activated carbon / methanol / 3 h / 760.05 Torr
4: acetic acid / 1 h / 150 - 200 °C
5: chloroform / 20 h / 65 °C
6: pyridine / 16 h / 70 °C
View Scheme
(±)-2-methyl-2-aminobutanoic acid methyl ester hydrochloride
156032-14-3

(±)-2-methyl-2-aminobutanoic acid methyl ester hydrochloride

C18H25N3O4S
1431140-98-5

C18H25N3O4S

Conditions
ConditionsYield
Multi-step reaction with 6 steps
1: N-ethyl-N,N-diisopropylamine / dichloromethane / 4 h / 20 °C
2: lithium hydroxide; water / tetrahydrofuran; methanol
3: hydrogen; palladium 10% on activated carbon / methanol / 3 h / 760.05 Torr
4: acetic acid / 1 h / 150 - 200 °C
5: chloroform / 20 h / 65 °C
6: pyridine / 16 h / 70 °C
View Scheme
(±)-2-methyl-2-aminobutanoic acid methyl ester hydrochloride
156032-14-3

(±)-2-methyl-2-aminobutanoic acid methyl ester hydrochloride

3-ethyl-3-methyl-3,4-dihydro-1H-benzo[e][1,4]diazepine-2,5-dione
1431141-33-1

3-ethyl-3-methyl-3,4-dihydro-1H-benzo[e][1,4]diazepine-2,5-dione

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1: N-ethyl-N,N-diisopropylamine / dichloromethane / 4 h / 20 °C
2: lithium hydroxide; water / tetrahydrofuran; methanol
3: hydrogen; palladium 10% on activated carbon / methanol / 3 h / 760.05 Torr
4: acetic acid / 1 h / 150 - 200 °C
View Scheme
(±)-2-methyl-2-aminobutanoic acid methyl ester hydrochloride
156032-14-3

(±)-2-methyl-2-aminobutanoic acid methyl ester hydrochloride

C18H18ClN3O4S
1431140-99-6

C18H18ClN3O4S

Conditions
ConditionsYield
Multi-step reaction with 6 steps
1: N-ethyl-N,N-diisopropylamine / dichloromethane / 4 h / 20 °C
2: lithium hydroxide; water / tetrahydrofuran; methanol
3: hydrogen; palladium 10% on activated carbon / methanol / 3 h / 760.05 Torr
4: acetic acid / 1 h / 150 - 200 °C
5: chloroform / 20 h / 65 °C
6: pyridine / 16 h / 70 °C
View Scheme
(±)-2-methyl-2-aminobutanoic acid methyl ester hydrochloride
156032-14-3

(±)-2-methyl-2-aminobutanoic acid methyl ester hydrochloride

C18H18ClN3O4S
1431141-00-2

C18H18ClN3O4S

Conditions
ConditionsYield
Multi-step reaction with 6 steps
1: N-ethyl-N,N-diisopropylamine / dichloromethane / 4 h / 20 °C
2: lithium hydroxide; water / tetrahydrofuran; methanol
3: hydrogen; palladium 10% on activated carbon / methanol / 3 h / 760.05 Torr
4: acetic acid / 1 h / 150 - 200 °C
5: chloroform / 20 h / 65 °C
6: pyridine / 16 h / 70 °C
View Scheme
(±)-2-methyl-2-aminobutanoic acid methyl ester hydrochloride
156032-14-3

(±)-2-methyl-2-aminobutanoic acid methyl ester hydrochloride

C18H18ClN3O4S
1431141-01-3

C18H18ClN3O4S

Conditions
ConditionsYield
Multi-step reaction with 6 steps
1: N-ethyl-N,N-diisopropylamine / dichloromethane / 4 h / 20 °C
2: lithium hydroxide; water / tetrahydrofuran; methanol
3: hydrogen; palladium 10% on activated carbon / methanol / 3 h / 760.05 Torr
4: acetic acid / 1 h / 150 - 200 °C
5: chloroform / 20 h / 65 °C
6: pyridine / 16 h / 70 °C
View Scheme
(±)-2-methyl-2-aminobutanoic acid methyl ester hydrochloride
156032-14-3

(±)-2-methyl-2-aminobutanoic acid methyl ester hydrochloride

C19H18F3N3O4S
1431141-02-4

C19H18F3N3O4S

Conditions
ConditionsYield
Multi-step reaction with 6 steps
1: N-ethyl-N,N-diisopropylamine / dichloromethane / 4 h / 20 °C
2: lithium hydroxide; water / tetrahydrofuran; methanol
3: hydrogen; palladium 10% on activated carbon / methanol / 3 h / 760.05 Torr
4: acetic acid / 1 h / 150 - 200 °C
5: chloroform / 20 h / 65 °C
6: pyridine / 16 h / 70 °C
View Scheme
(±)-2-methyl-2-aminobutanoic acid methyl ester hydrochloride
156032-14-3

(±)-2-methyl-2-aminobutanoic acid methyl ester hydrochloride

C12H13ClN2O4S
1431141-36-4

C12H13ClN2O4S

Conditions
ConditionsYield
Multi-step reaction with 5 steps
1: N-ethyl-N,N-diisopropylamine / dichloromethane / 4 h / 20 °C
2: lithium hydroxide; water / tetrahydrofuran; methanol
3: hydrogen; palladium 10% on activated carbon / methanol / 3 h / 760.05 Torr
4: acetic acid / 1 h / 150 - 200 °C
5: chloroform / 20 h / 65 °C
View Scheme
(±)-2-methyl-2-aminobutanoic acid methyl ester hydrochloride
156032-14-3

(±)-2-methyl-2-aminobutanoic acid methyl ester hydrochloride

C19H21N3O5S
1431141-03-5

C19H21N3O5S

Conditions
ConditionsYield
Multi-step reaction with 6 steps
1: N-ethyl-N,N-diisopropylamine / dichloromethane / 4 h / 20 °C
2: lithium hydroxide; water / tetrahydrofuran; methanol
3: hydrogen; palladium 10% on activated carbon / methanol / 3 h / 760.05 Torr
4: acetic acid / 1 h / 150 - 200 °C
5: chloroform / 20 h / 65 °C
6: pyridine / 16 h / 70 °C
View Scheme
(±)-2-methyl-2-aminobutanoic acid methyl ester hydrochloride
156032-14-3

(±)-2-methyl-2-aminobutanoic acid methyl ester hydrochloride

2-methyl-2-(2-nitrobenzamido)butanoic acid
1444223-90-8

2-methyl-2-(2-nitrobenzamido)butanoic acid

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: N-ethyl-N,N-diisopropylamine / dichloromethane / 4 h / 20 °C
2: lithium hydroxide; water / tetrahydrofuran; methanol
View Scheme
(±)-2-methyl-2-aminobutanoic acid methyl ester hydrochloride
156032-14-3

(±)-2-methyl-2-aminobutanoic acid methyl ester hydrochloride

2-(2-aminobenzamido)-2-methylbutanoic acid
1444223-76-0

2-(2-aminobenzamido)-2-methylbutanoic acid

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: N-ethyl-N,N-diisopropylamine / dichloromethane / 4 h / 20 °C
2: lithium hydroxide; water / tetrahydrofuran; methanol
3: hydrogen; palladium 10% on activated carbon / methanol / 3 h / 760.05 Torr
View Scheme
(±)-2-methyl-2-aminobutanoic acid methyl ester hydrochloride
156032-14-3

(±)-2-methyl-2-aminobutanoic acid methyl ester hydrochloride

A

(S)-(-)-3-ethyl-3-methyl-3,4-dihydro-1H-benzo[e][1,4]diazepine-2,5-dione
1431141-39-7

(S)-(-)-3-ethyl-3-methyl-3,4-dihydro-1H-benzo[e][1,4]diazepine-2,5-dione

B

(R)-(+)-3-ethyl-3-methyl-3,4-dihydro-1H-benzo[e][1,4]diazepine-2,5-dione
1431141-40-0

(R)-(+)-3-ethyl-3-methyl-3,4-dihydro-1H-benzo[e][1,4]diazepine-2,5-dione

Conditions
ConditionsYield
Multi-step reaction with 5 steps
1: N-ethyl-N,N-diisopropylamine / dichloromethane / 4 h / 20 °C
2: lithium hydroxide; water / tetrahydrofuran; methanol
3: hydrogen; palladium 10% on activated carbon / methanol / 3 h / 760.05 Torr
4: acetic acid / 1 h / 150 - 200 °C
5: chiral ReproSil column chromatography / methanol / Resolution of racemate
View Scheme
(±)-2-methyl-2-aminobutanoic acid methyl ester hydrochloride
156032-14-3

(±)-2-methyl-2-aminobutanoic acid methyl ester hydrochloride

S-(-)-3-ethyl-3-methyl-2,5-dioxo-2,3,4,5-tetrahydro-1H-benzo[e][1,4]diazepine-7-sulfonyl chloride
1431141-41-1

S-(-)-3-ethyl-3-methyl-2,5-dioxo-2,3,4,5-tetrahydro-1H-benzo[e][1,4]diazepine-7-sulfonyl chloride

Conditions
ConditionsYield
Multi-step reaction with 6 steps
1: N-ethyl-N,N-diisopropylamine / dichloromethane / 4 h / 20 °C
2: lithium hydroxide; water / tetrahydrofuran; methanol
3: hydrogen; palladium 10% on activated carbon / methanol / 3 h / 760.05 Torr
4: acetic acid / 1 h / 150 - 200 °C
5: chiral ReproSil column chromatography / methanol / Resolution of racemate
6: chloroform / 65 °C
View Scheme
(±)-2-methyl-2-aminobutanoic acid methyl ester hydrochloride
156032-14-3

(±)-2-methyl-2-aminobutanoic acid methyl ester hydrochloride

C19H19F2N3O5S
1431141-04-6

C19H19F2N3O5S

Conditions
ConditionsYield
Multi-step reaction with 6 steps
1: N-ethyl-N,N-diisopropylamine / dichloromethane / 4 h / 20 °C
2: lithium hydroxide; water / tetrahydrofuran; methanol
3: hydrogen; palladium 10% on activated carbon / methanol / 3 h / 760.05 Torr
4: acetic acid / 1 h / 150 - 200 °C
5: chloroform / 20 h / 65 °C
6: pyridine / 16 h / 70 °C
View Scheme

Isovaline,methylester,hydrochloride (1:1) Specification

The CAS registry number of Isovaline,methylester,hydrochloride (1:1) is 156032-14-3. The IUPAC name is methyl 2-amino-2-methylbutanoate hydrochloride. In addition, the molecular formula is C6H13NO2.ClH and the molecular weight is 167.63. It should be stored in a cool and dry place.

Physical properties about this chemical are: (1)H-Bond Donor: 2; (2)H-Bond Acceptor: 3; (3)Rotatable Bond Count: 3; (4)Exact Mass: 167.071306; (5)MonoIsotopic Mass: 167.071306; (6)Topological Polar Surface Area: 52.3; (7)Heavy Atom Count: 10; (8)Complexity: 114; (9)Undefined Atom StereoCenter Count: 1; (10)Covalently-Bonded Unit Count: 2.

You can still convert the following datas into molecular structure:
(1)SMILES: CCC(C)(C(=O)OC)N.Cl
(2)InChI: InChI=1/C6H13NO2.ClH/c1-4-6(2,7)5(8)9-3;/h4,7H2,1-3H3;1H
(3)InChIKey: HVPPPARGXDTDEY-UHFFFAOYAZ

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