Product Name

  • Name

    N-BUTYLDEOXYNOJIRIMYCIN

  • EINECS
  • CAS No. 72599-27-0
  • Article Data31
  • CAS DataBase
  • Density 1.2±0.1 g/cm3
  • Solubility Soluble in water at 10mg/ml
  • Melting Point 126-127℃
  • Formula C10H21NO4
  • Boiling Point 394.7±42.0 °C at 760 mmHg
  • Molecular Weight 219.281
  • Flash Point 215.4±26.5 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 72599-27-0 (N-BUTYLDEOXYNOJIRIMYCIN)
  • Hazard Symbols
  • Synonyms 3,4,5-Piperidinetriol,1-butyl-2-(hydroxymethyl)-, [2R-(2a,3b,4a,5b)]-;Miglustat;N-Butyl-1-deoxynojirimycin;N-Butyldeoxynojirimycin;N-Butylmoranoline;NB-DNJ;OGT 918;SC 48334;Zavesca;
  • PSA 84.16000
  • LogP -1.51640

Synthetic route

miglustat hydrochloride
210110-90-0

miglustat hydrochloride

N-butyldeoxynojirimycin
72599-27-0

N-butyldeoxynojirimycin

Conditions
ConditionsYield
With 1,8-diazabicyclo[5.4.0]undec-7-ene99.5%
N-butyl 2,3,4,6-tetra-O-benzyl-1,5-dideoxy-1,5-imino-D-glucitol
227932-82-3

N-butyl 2,3,4,6-tetra-O-benzyl-1,5-dideoxy-1,5-imino-D-glucitol

N-butyldeoxynojirimycin
72599-27-0

N-butyldeoxynojirimycin

Conditions
ConditionsYield
With ammonia; lithium In tetrahydrofuran at -78℃; for 2.5h;91%
With boron trichloride In hexane; dichloromethane at -78℃;83%
With 10 wt% Pd(OH)2 on carbon; hydrogen In ethanol; chloroform at 20℃; for 20h;
With hydrogenchloride; 16% Pd/C; hydrogen In methanol; water under 3000.3 Torr; for 4h;50 g
With hydrogenchloride; 16% Pd/C; hydrogen In methanol; water under 3000.3 Torr; for 4h;50 g
1-bromo-butane
109-65-9

1-bromo-butane

1,5-dideoxy-1,5-imino-D-glucitol
19130-96-2

1,5-dideoxy-1,5-imino-D-glucitol

N-butyldeoxynojirimycin
72599-27-0

N-butyldeoxynojirimycin

Conditions
ConditionsYield
With potassium carbonate In N,N-dimethyl-formamide at 80 - 90℃; for 24h;76%
With sodium hydrogencarbonate In 1,4-dioxane; methanol for 48h; Heating;
With potassium carbonate In N,N-dimethyl-formamide at 60℃; for 24h;
1,5-dideoxy-1,5-imino-D-glucitol
19130-96-2

1,5-dideoxy-1,5-imino-D-glucitol

butyraldehyde
123-72-8

butyraldehyde

N-butyldeoxynojirimycin
72599-27-0

N-butyldeoxynojirimycin

Conditions
ConditionsYield
With palladium 10% on activated carbon; hydrogen In ethanol; water at 20℃; under 2585.81 Torr;60%
palladium In methanol
palladium In methanol
D-xylo-hexos-5-ulose
19684-22-1

D-xylo-hexos-5-ulose

N-butylamine
109-73-9

N-butylamine

A

N-butyldeoxynojirimycin
72599-27-0

N-butyldeoxynojirimycin

B

(3R,4R,5S)-6-Butylamino-hexane-1,2,3,4,5-pentaol

(3R,4R,5S)-6-Butylamino-hexane-1,2,3,4,5-pentaol

Conditions
ConditionsYield
With sodium cyanoborohydride; acetic acid In methanol 1.) -78 deg C, 2 h, 2.) r.t., 20 h;A 55%
B 10%
...Expand
C24H33NO4

C24H33NO4

N-butyldeoxynojirimycin
72599-27-0

N-butyldeoxynojirimycin

Conditions
ConditionsYield
Stage #1: C24H33NO4 With trimethylsilyl iodide In dichloromethane at 20℃; for 0.25h;
Stage #2: With methanol In dichloromethane		33%
2,3,4,6-tetra-O-benzyl-D-glucopyranose
6564-72-3

2,3,4,6-tetra-O-benzyl-D-glucopyranose

N-butyldeoxynojirimycin
72599-27-0

N-butyldeoxynojirimycin

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1: 100 percent / LiAlH4 / tetrahydrofuran / Ambient temperature
2: 1.) TFAA, DMSO, 2.) Et3N / 1.) CH2Cl2, -78 deg C, 1.5 h, 2.) CH2Cl2, -78 deg C to r.t., 30 min
3: 77 percent / NaBH3CN, molecular sieves 3 Angstroem / methanol / 0.5 h / Ambient temperature
4: 91 percent / Li, NH3 / tetrahydrofuran / 2.5 h / -78 °C
View Scheme
2,3,4,6-tetra-O-benzyl-D-glucitol
78136-16-0, 14233-48-8

2,3,4,6-tetra-O-benzyl-D-glucitol

N-butyldeoxynojirimycin
72599-27-0

N-butyldeoxynojirimycin

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: 1.) TFAA, DMSO, 2.) Et3N / 1.) CH2Cl2, -78 deg C, 1.5 h, 2.) CH2Cl2, -78 deg C to r.t., 30 min
2: 77 percent / NaBH3CN, molecular sieves 3 Angstroem / methanol / 0.5 h / Ambient temperature
3: 91 percent / Li, NH3 / tetrahydrofuran / 2.5 h / -78 °C
View Scheme
Multi-step reaction with 6 steps
1: pyridine / dichloromethane / 20 °C / Inert atmosphere
2: triphenylphosphine; diethylazodicarboxylate / toluene / 20 °C / Inert atmosphere
3: sodium methylate / methanol / 5 h / 20 °C
4: pyridine / 5 h / 20 °C
5: 96 h / 55 °C
6: 10 wt% Pd(OH)2 on carbon; hydrogen / ethanol; chloroform / 20 h / 20 °C
View Scheme
Multi-step reaction with 3 steps
1: triethylamine; oxalyl dichloride; dimethyl sulfoxide / dichloromethane / 4 h / 50 °C / Inert atmosphere
2: sodium cyanoborohydride; sodium sulfate; acetic acid / dichloromethane; methanol / 15 h / 20 °C / pH 6 / Inert atmosphere
3: hydrogenchloride; 16% Pd/C; hydrogen / methanol; water / 4 h / 3000.3 Torr
View Scheme
(2R,3R,4S)-2,3,4,6-tetrakis(benzyloxy)-5-oxohexanal
214041-43-7

(2R,3R,4S)-2,3,4,6-tetrakis(benzyloxy)-5-oxohexanal

N-butyldeoxynojirimycin
72599-27-0

N-butyldeoxynojirimycin

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 77 percent / NaBH3CN, molecular sieves 3 Angstroem / methanol / 0.5 h / Ambient temperature
2: 91 percent / Li, NH3 / tetrahydrofuran / 2.5 h / -78 °C
View Scheme
1,2-O-isopropylidene-α-D-xylo-hexafuranos-5-ulose
19684-32-3

1,2-O-isopropylidene-α-D-xylo-hexafuranos-5-ulose

N-butyldeoxynojirimycin
72599-27-0

N-butyldeoxynojirimycin

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 70 percent / Dowex 50W-X8 / H2O / 36 h / 25 °C
2: 55 percent / HOAc, NaBH3CN / methanol / 1.) -78 deg C, 2 h, 2.) r.t., 20 h
View Scheme
1,2-O-isopropylidene-α-D-glucofuranose
18549-40-1

1,2-O-isopropylidene-α-D-glucofuranose

N-butyldeoxynojirimycin
72599-27-0

N-butyldeoxynojirimycin

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: 1.) dibutylin oxide hemihydrate, 2.) Br2 / 1.) MeOH, reflux, 1.5 h, 2.) CH2Cl2, 0 deg C, 10 min
2: 70 percent / Dowex 50W-X8 / H2O / 36 h / 25 °C
3: 55 percent / HOAc, NaBH3CN / methanol / 1.) -78 deg C, 2 h, 2.) r.t., 20 h
View Scheme
2,2-dimethylpropanoic anhydride
1538-75-6

2,2-dimethylpropanoic anhydride

N-butyldeoxynojirimycin
72599-27-0

N-butyldeoxynojirimycin

(2S,3R,4S,5S)-2,3,4,6-tetrakis(benzyloxy)hexane-1,5-diyldimethanesulfonate

(2S,3R,4S,5S)-2,3,4,6-tetrakis(benzyloxy)hexane-1,5-diyldimethanesulfonate

N-butyldeoxynojirimycin
72599-27-0

N-butyldeoxynojirimycin

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 96 h / 55 °C
2: 10 wt% Pd(OH)2 on carbon; hydrogen / ethanol; chloroform / 20 h / 20 °C
View Scheme
(2S,3R,4R,5R)-2,3,4,6-tetrakis(benzyloxy)-5-hydroxyhexyl pivalate
1316108-84-5

(2S,3R,4R,5R)-2,3,4,6-tetrakis(benzyloxy)-5-hydroxyhexyl pivalate

N-butyldeoxynojirimycin
72599-27-0

N-butyldeoxynojirimycin

Conditions
ConditionsYield
Multi-step reaction with 5 steps
1: triphenylphosphine; diethylazodicarboxylate / toluene / 20 °C / Inert atmosphere
2: sodium methylate / methanol / 5 h / 20 °C
3: pyridine / 5 h / 20 °C
4: 96 h / 55 °C
5: 10 wt% Pd(OH)2 on carbon; hydrogen / ethanol; chloroform / 20 h / 20 °C
View Scheme
(2R,3R,4R,5S)-1,3,4,5-tetrakis(benzyloxy)-6-(pivaloyloxy)hexan-2-yl benzoate
1316108-89-0

(2R,3R,4R,5S)-1,3,4,5-tetrakis(benzyloxy)-6-(pivaloyloxy)hexan-2-yl benzoate

N-butyldeoxynojirimycin
72599-27-0

N-butyldeoxynojirimycin

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1: sodium methylate / methanol / 5 h / 20 °C
2: pyridine / 5 h / 20 °C
3: 96 h / 55 °C
4: 10 wt% Pd(OH)2 on carbon; hydrogen / ethanol; chloroform / 20 h / 20 °C
View Scheme
2,3,4,6-Tetra-O-benzyl-D-glucopyranose
4291-69-4, 6386-24-9, 6564-72-3, 59531-24-7, 69257-52-9, 78184-89-1, 78609-16-2, 78609-17-3, 78609-18-4, 96553-53-6, 104111-61-7, 131347-08-5, 4132-28-9

2,3,4,6-Tetra-O-benzyl-D-glucopyranose

N-butyldeoxynojirimycin
72599-27-0

N-butyldeoxynojirimycin

Conditions
ConditionsYield
Multi-step reaction with 7 steps
1: sodium tetrahydroborate / ethanol / 12 h / Inert atmosphere
2: pyridine / dichloromethane / 20 °C / Inert atmosphere
3: triphenylphosphine; diethylazodicarboxylate / toluene / 20 °C / Inert atmosphere
4: sodium methylate / methanol / 5 h / 20 °C
5: pyridine / 5 h / 20 °C
6: 96 h / 55 °C
7: 10 wt% Pd(OH)2 on carbon; hydrogen / ethanol; chloroform / 20 h / 20 °C
View Scheme
Multi-step reaction with 7 steps
1: acetic anhydride; dimethyl sulfoxide / 20 °C
2: ammonia / methanol / 3 h / 0 °C
3: acetic anhydride; dimethyl sulfoxide / 6 h / 20 °C
4: sodium cyanoborohydride; formic acid / acetonitrile / 3 h / Reflux
5: lithium aluminium tetrahydride / tetrahydrofuran / 3 h / Reflux
6: potassium carbonate / acetonitrile / 24 h / Reflux; Inert atmosphere
7: boron trichloride / dichloromethane; hexane / -78 °C
View Scheme
(2S,3R,4R,5S)-2,3,4,6-tetrakis(benzyloxy)hexane-1,5-diol
78136-16-0

(2S,3R,4R,5S)-2,3,4,6-tetrakis(benzyloxy)hexane-1,5-diol

N-butyldeoxynojirimycin
72599-27-0

N-butyldeoxynojirimycin

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: pyridine / 5 h / 20 °C
2: 96 h / 55 °C
3: 10 wt% Pd(OH)2 on carbon; hydrogen / ethanol; chloroform / 20 h / 20 °C
View Scheme
6-deoxy-6-butylaminosorbose

6-deoxy-6-butylaminosorbose

N-butyldeoxynojirimycin
72599-27-0

N-butyldeoxynojirimycin

Conditions
ConditionsYield
With 4% Pd/C; hydrogen In water at 20℃; under 3345.86 Torr; for 2.33333h; pH=5;
2,3,4,6-tetra-O-benzyl-D-xylo-hex-5-ulosononitrile
139189-61-0

2,3,4,6-tetra-O-benzyl-D-xylo-hex-5-ulosononitrile

N-butyldeoxynojirimycin
72599-27-0

N-butyldeoxynojirimycin

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1.1: palladium hydroxide, 20 wt% on carbon; hydrogen / tert-butyl alcohol; methanol / 25 °C / 7757.43 - 8791.75 Torr
1.2: 0.5 h
1.3: 4654.46 - 5171.62 Torr
2.1: potassium carbonate / N,N-dimethyl-formamide / 24 h / 80 - 90 °C
View Scheme
methyl-alpha-D-glucopyranoside
97-30-3

methyl-alpha-D-glucopyranoside

N-butyldeoxynojirimycin
72599-27-0

N-butyldeoxynojirimycin

Conditions
ConditionsYield
Multi-step reaction with 9 steps
1: sodium hydride / N,N-dimethyl-formamide / 8 h / 0 - 20 °C
2: acetic acid; sulfuric acid / Reflux
3: acetic anhydride; dimethyl sulfoxide / 20 °C
4: ammonia / methanol / 3 h / 0 °C
5: acetic anhydride; dimethyl sulfoxide / 6 h / 20 °C
6: sodium cyanoborohydride; formic acid / acetonitrile / 3 h / Reflux
7: lithium aluminium tetrahydride / tetrahydrofuran / 3 h / Reflux
8: potassium carbonate / acetonitrile / 24 h / Reflux; Inert atmosphere
9: boron trichloride / dichloromethane; hexane / -78 °C
View Scheme
2,3,4,6-tetra-O-benzyl-5-dehydro-5-oxo-D-gluconamide
76670-94-5

2,3,4,6-tetra-O-benzyl-5-dehydro-5-oxo-D-gluconamide

N-butyldeoxynojirimycin
72599-27-0

N-butyldeoxynojirimycin

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1: sodium cyanoborohydride; formic acid / acetonitrile / 3 h / Reflux
2: lithium aluminium tetrahydride / tetrahydrofuran / 3 h / Reflux
3: potassium carbonate / acetonitrile / 24 h / Reflux; Inert atmosphere
4: boron trichloride / dichloromethane; hexane / -78 °C
View Scheme
methyl 2,3,4,6-tetra-O-benzyl-α-D-glucopyranoside
3879-79-6, 17791-37-6, 19488-61-0, 53008-63-2, 61330-62-9, 69237-94-1, 69237-95-2, 71526-33-5, 83462-67-3, 84799-77-9, 103421-29-0, 103421-30-3, 139241-42-2

methyl 2,3,4,6-tetra-O-benzyl-α-D-glucopyranoside

N-butyldeoxynojirimycin
72599-27-0

N-butyldeoxynojirimycin

Conditions
ConditionsYield
Multi-step reaction with 8 steps
1: acetic acid; sulfuric acid / Reflux
2: acetic anhydride; dimethyl sulfoxide / 20 °C
3: ammonia / methanol / 3 h / 0 °C
4: acetic anhydride; dimethyl sulfoxide / 6 h / 20 °C
5: sodium cyanoborohydride; formic acid / acetonitrile / 3 h / Reflux
6: lithium aluminium tetrahydride / tetrahydrofuran / 3 h / Reflux
7: potassium carbonate / acetonitrile / 24 h / Reflux; Inert atmosphere
8: boron trichloride / dichloromethane; hexane / -78 °C
View Scheme
(3R,4S,5R,6R)-3,4,5-tris(benzyloxy)-6-((benzyloxy)methyl)tetrahydro-2H-pyran-2-one
13096-62-3

(3R,4S,5R,6R)-3,4,5-tris(benzyloxy)-6-((benzyloxy)methyl)tetrahydro-2H-pyran-2-one

N-butyldeoxynojirimycin
72599-27-0

N-butyldeoxynojirimycin

Conditions
ConditionsYield
Multi-step reaction with 6 steps
1: ammonia / methanol / 3 h / 0 °C
2: acetic anhydride; dimethyl sulfoxide / 6 h / 20 °C
3: sodium cyanoborohydride; formic acid / acetonitrile / 3 h / Reflux
4: lithium aluminium tetrahydride / tetrahydrofuran / 3 h / Reflux
5: potassium carbonate / acetonitrile / 24 h / Reflux; Inert atmosphere
6: boron trichloride / dichloromethane; hexane / -78 °C
View Scheme
2,3,4,6-tetra-O-benzyl-D-gluconamide
76670-93-4

2,3,4,6-tetra-O-benzyl-D-gluconamide

N-butyldeoxynojirimycin
72599-27-0

N-butyldeoxynojirimycin

Conditions
ConditionsYield
Multi-step reaction with 5 steps
1: acetic anhydride; dimethyl sulfoxide / 6 h / 20 °C
2: sodium cyanoborohydride; formic acid / acetonitrile / 3 h / Reflux
3: lithium aluminium tetrahydride / tetrahydrofuran / 3 h / Reflux
4: potassium carbonate / acetonitrile / 24 h / Reflux; Inert atmosphere
5: boron trichloride / dichloromethane; hexane / -78 °C
View Scheme
(3R,4S,5R,6R)-3,4,5-tris(benzyloxy)-6-(benzyloxymethyl)piperidin-2-one
77174-08-4

(3R,4S,5R,6R)-3,4,5-tris(benzyloxy)-6-(benzyloxymethyl)piperidin-2-one

N-butyldeoxynojirimycin
72599-27-0

N-butyldeoxynojirimycin

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: lithium aluminium tetrahydride / tetrahydrofuran / 3 h / Reflux
2: potassium carbonate / acetonitrile / 24 h / Reflux; Inert atmosphere
3: boron trichloride / dichloromethane; hexane / -78 °C
View Scheme
2,3,4,6-tetra-O-benzyl-1,5-dideoxy-1,5-imino-D-glucitol
69567-11-9, 76738-52-8, 126836-30-4

2,3,4,6-tetra-O-benzyl-1,5-dideoxy-1,5-imino-D-glucitol

N-butyldeoxynojirimycin
72599-27-0

N-butyldeoxynojirimycin

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: palladium on carbon; hydrogen; hydrogenchloride / ethanol; water / 24 h / 3000.3 Torr / pH 2
2: N-ethyl-N,N-diisopropylamine / N,N-dimethyl-formamide / 70 °C / Inert atmosphere
View Scheme
3,4-di-O-benzyl-D-mannitol
36199-02-7

3,4-di-O-benzyl-D-mannitol

N-butyldeoxynojirimycin
72599-27-0

N-butyldeoxynojirimycin

Conditions
ConditionsYield
Multi-step reaction with 6 steps
1: 1H-imidazole / N,N-dimethyl-formamide / 0 °C
2: triethylamine / dichloromethane
3: hydrogenchloride; methanol
4: sodium hydroxide / water
5: methanol / 0.08 h / 90 °C / Microwave irradiation; Sealed tube
6: trimethylsilyl iodide / dichloromethane / 0.25 h / 20 °C
View Scheme
(2R,3R,4R,5R)-3,4-Bis-benzyloxy-1,6-bis-(tert-butyl-dimethyl-silanyloxy)-hexane-2,5-diol
172147-87-4

(2R,3R,4R,5R)-3,4-Bis-benzyloxy-1,6-bis-(tert-butyl-dimethyl-silanyloxy)-hexane-2,5-diol

N-butyldeoxynojirimycin
72599-27-0

N-butyldeoxynojirimycin

Conditions
ConditionsYield
Multi-step reaction with 5 steps
1: triethylamine / dichloromethane
2: hydrogenchloride; methanol
3: sodium hydroxide / water
4: methanol / 0.08 h / 90 °C / Microwave irradiation; Sealed tube
5: trimethylsilyl iodide / dichloromethane / 0.25 h / 20 °C
View Scheme
Methanesulfonic acid (1R,2S,3S,4R)-2,3-bis-benzyloxy-5-(tert-butyl-dimethyl-silanyloxy)-1-(tert-butyl-dimethyl-silanyloxymethyl)-4-methanesulfonyloxy-pentyl ester
172147-86-3

Methanesulfonic acid (1R,2S,3S,4R)-2,3-bis-benzyloxy-5-(tert-butyl-dimethyl-silanyloxy)-1-(tert-butyl-dimethyl-silanyloxymethyl)-4-methanesulfonyloxy-pentyl ester

N-butyldeoxynojirimycin
72599-27-0

N-butyldeoxynojirimycin

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1: hydrogenchloride; methanol
2: sodium hydroxide / water
3: methanol / 0.08 h / 90 °C / Microwave irradiation; Sealed tube
4: trimethylsilyl iodide / dichloromethane / 0.25 h / 20 °C
View Scheme
N-butyldeoxynojirimycin
72599-27-0

N-butyldeoxynojirimycin

1,5-(Butylimino)-1,5-dideoxy-D-glucitol, 6-acetate
131262-99-2

1,5-(Butylimino)-1,5-dideoxy-D-glucitol, 6-acetate

Conditions
ConditionsYield
With acetic anhydride In pyridine; water
With acetic anhydride In pyridine; water
With acetic anhydride In pyridine; water
With acetic anhydride In pyridine; water
dimethyoxytoluene

dimethyoxytoluene

p-toluenesulfonic acid monohydrate
6192-52-5

p-toluenesulfonic acid monohydrate

N-butyldeoxynojirimycin
72599-27-0

N-butyldeoxynojirimycin

1,5-(Butylimino)-1,5-dideoxy-4R, 6-0-(phenylmethylene)-D-glucitol

1,5-(Butylimino)-1,5-dideoxy-4R, 6-0-(phenylmethylene)-D-glucitol

Conditions
ConditionsYield
In N-methyl-acetamide
...Expand
4-methylvaleroyl chloride
38136-29-7

4-methylvaleroyl chloride

N-butyldeoxynojirimycin
72599-27-0

N-butyldeoxynojirimycin

1,5-(Butylimino)-1,5-dideoxy-D-glucitol, tetra(4-methylpentanoate)
143698-23-1

1,5-(Butylimino)-1,5-dideoxy-D-glucitol, tetra(4-methylpentanoate)

Conditions
ConditionsYield
In tetrahydrofuran; pyridine; water; ethyl acetate
1,2-dimethoxy-3-methylbenzene
4463-33-6

1,2-dimethoxy-3-methylbenzene

p-toluenesulfonic acid monohydrate
6192-52-5

p-toluenesulfonic acid monohydrate

N-butyldeoxynojirimycin
72599-27-0

N-butyldeoxynojirimycin

1,5-(Butylimino)-1,5-dideoxy-4R, 6-0-(phenylmethylene)-D-glucitol

1,5-(Butylimino)-1,5-dideoxy-4R, 6-0-(phenylmethylene)-D-glucitol

Conditions
ConditionsYield
In N-methyl-acetamide
In N-methyl-acetamide
In N-methyl-acetamide
...Expand
4,4,4-trifluorobutanoyl chloride
406-91-7

4,4,4-trifluorobutanoyl chloride

N-butyldeoxynojirimycin
72599-27-0

N-butyldeoxynojirimycin

1,5-(Butylimino)-1,5-dideoxy-D-glucitol tetra(4,4,4-trifluorobutanoate)

1,5-(Butylimino)-1,5-dideoxy-D-glucitol tetra(4,4,4-trifluorobutanoate)

Conditions
ConditionsYield
In tetrahydrofuran; pyridine; water

Miglustat Specification

The Miglustat, with the CAS registry number 72599-27-0, is also known as N-Butyl-1-deoxynojirimycin. This chemical's molecular formula is C10H21NO4 and molecular weight is 219.28. What's more, its systematic name is (2R,3R,4R,5S)-1-Butyl-2-(hydroxymethyl)-3,4,5-piperidinetriol. Its classification codes are: (1)Anti-HIV agents; (2)Anti-Infective Agents; (3)Anti-Retroviral Agents; (4)Antiviral Agents; (5)Enzyme inhibitors; (6)Treatment of glycolipid storage diseases. This chemical is a glucosylceramide synthase inhibitor. It should be sealed and stored in a cool and dry place. Moreover, it should be protected from oxides.

Physical properties of Miglustat are: (1)ACD/LogP: 0.46±0.44; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.06; (4)ACD/LogD (pH 7.4): 0.31; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.27; (8)ACD/KOC (pH 7.4): 29.98; (9)#H bond acceptors: 5; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 84.16 Å2; (13)Index of Refraction: 1.546; (14)Molar Refractivity: 56.2±0.3 cm3; (15)Molar Volume: 177.6±3.0 cm3; (16)Polarizability: 22.3±0.5×10-24cm3; (17)Surface Tension: 56.6±3.0 dyne/cm; (18)Density: 1.2±0.1 g/cm3; (19)Flash Point: 215.4±26.5 °C; (20)Enthalpy of Vaporization: 74.5±6.0 kJ/mol; (21)Boiling Point: 394.7±42.0 °C at 760 mmHg; (22)Vapour Pressure: 0.0±2.1 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CCCCN1C[C@@H]([C@H]([C@@H]([C@H]1CO)O)O)O
(2)Std. InChI: InChI=1S/C10H21NO4/c1-2-3-4-11-5-8(13)10(15)9(14)7(11)6-12/h7-10,12-15H,2-6H2,1H3/t7-,8+,9-,10-/m1/s1
(3)Std. InChIKey: UQRORFVVSGFNRO-UTINFBMNSA-N

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