(S)-(+)-4-Amino-3-hydroxybutyric acid supplier

Name
(S)-(+)-4-AMINO-3-HYDROXYBUTANOIC ACID
EINECS
CAS No. 7013-05-0
Article Data25
CAS DataBase
Density 1.312 g/cm³
Solubility
Melting Point 207-212 °C
Formula C₄H₉NO₃
Boiling Point 374.5 °C at 760 mmHg
Molecular Weight 119.12
Flash Point 180.3 °C
Transport Information
Appearance white to light yellow crystal powder
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Butanoicacid, 4-amino-3-hydroxy-, (S)-;(+)-g-Amino-b-hydroxybutyric acid;(3S)-(+)-4-Amino-3-hydroxybutanoic acid;(3S)-4-Amino-3-hydroxybutanoicacid;(S)-(+)-3-Hydroxy-GABA;(S)-(+)-b-hydroxy-GABA;(S)-4-Amino-3-hydroxybutanoic acid;(S)-g-Amino-b-hydroxybutyric acid;S-(+)-g-Amino-b-hydroxybutyric acid;
PSA 83.55000
LogP -0.51900

Synthetic route

: 132882-98-5
(-)-ethyl 3-cyano-3-hydroxypropionate

: 7013-05-0
(S)-4-amino-3-hydroxybutanoic acid

Conditions

Conditions	Yield
With borane-THF; nickel dichloride In isopropyl alcohol for 2h; Ambient temperature;	100%

: (S)-4-Amino-3-hydroxy-butyric acid ethyl ester

: 7013-05-0
(S)-4-amino-3-hydroxybutanoic acid

Conditions

Conditions	Yield
With hydrogenchloride for 1h;	100%

: 99475-69-1
(S)-3-tert-Butoxy-4-tert-butoxycarbonylamino-butyric acid

: 7013-05-0
(S)-4-amino-3-hydroxybutanoic acid

Conditions

Conditions	Yield
With hydrogenchloride In 1,4-dioxane for 16h; Ambient temperature;	95%

: 213687-65-1
(2S,5R,6S)-2-(4-benzyloxycarbonyl-5,6-diphenyl-1,2,5,6-tetrahydro-4H-1,4-oxazin-2-yl)acetic acid

: 7013-05-0
(S)-4-amino-3-hydroxybutanoic acid

Conditions

Conditions	Yield
With hydrogen; palladium dichloride In tetrahydrofuran; water at 75 - 80℃; under 6205.78 Torr; for 3h;	93%
With carboxylic acid; lithium; tert-butyl alcohol In tetrahydrofuran; ammonia at -78 - -33℃; for 0.833333h; Reduction; Birch reduction;	81%

: 1431373-89-5
(S)-4-(benzyl-benzyloxycarbonyl-amino)-3-benzyloxy-butyric acid

: 7013-05-0
(S)-4-amino-3-hydroxybutanoic acid

Conditions

Conditions	Yield
With palladium 10% on activated carbon; hydrogen In ethyl acetate under 760.051 Torr; for 12h;	87%

: 175158-38-0
(S)-4-chloro-3-hydroxybutanamide

: 7013-05-0
(S)-4-amino-3-hydroxybutanoic acid

Conditions

Conditions	Yield
Stage #1: (S)-4-chloro-3-hydroxybutanamide With ammonium hydroxide at 20℃; for 18h; amination; Stage #2: With Amberlite IRA-120B (H+) Hydrolysis;	80%

: 83349-20-6
4-<(Benzyloxycarbonyl)amino>-3-hydroxybutanoic acid

A: 7013-05-0
(S)-4-amino-3-hydroxybutanoic acid

B: 7013-07-2
(R)-4-Amino-3-hydroxybutanoic acid

Conditions

Conditions	Yield
With hydrogen; palladium on activated charcoal In methanol; water for 0.5h; Ambient temperature;	A n/a B 79%
With hydrogen; palladium on activated charcoal In methanol; water for 0.5h; Ambient temperature;

: 111607-76-2
acide (S)-benzamido-4 hydroxy-3 butanoique

: 7013-05-0
(S)-4-amino-3-hydroxybutanoic acid

Conditions

Conditions	Yield
With hydrogen bromide for 4h; Heating;	75%

: 1607830-40-9
(S)-3-(benzyloxy)-4-(benzyloxycarbonylamino)butyric acid

: 7013-05-0
(S)-4-amino-3-hydroxybutanoic acid

Conditions

Conditions	Yield
With palladium 10% on activated carbon; hydrogen In methanol at 20℃; under 11251.1 Torr; Inert atmosphere;	73%

: (S)-4-amino-3-(benzyloxy)butyric acid

: 7013-05-0
(S)-4-amino-3-hydroxybutanoic acid

Conditions

Conditions	Yield
With palladium 10% on activated carbon; hydrogen In methanol at 20℃; under 11251.1 Torr;	73%

: (S)-methyl 4-(((benzyloxy)carbonyl)amino)-3-hydroxybutanoate

: 7013-05-0
(S)-4-amino-3-hydroxybutanoic acid

Conditions

Conditions	Yield
With hydrogenchloride In water Reflux;	73%

: 122697-90-9
(2R)-2-(tert-Butyl)-3-methoxycarbonyl-1,3-oxazolidin-5-ylessigsaeure

: 7013-05-0
(S)-4-amino-3-hydroxybutanoic acid

Conditions

Conditions	Yield
With hydrogenchloride for 5h; Heating;	22%

: 109462-43-3
3,4 epoxybutyric acid

: 7013-05-0
(S)-4-amino-3-hydroxybutanoic acid

Conditions

Conditions	Yield
With ammonium hydroxide for 2h;	20 mg
With ammonia

: 851387-87-6
[(5S)-2-oxo-1,3-oxazolidin-5-yl]acetic acid

: 7013-05-0
(S)-4-amino-3-hydroxybutanoic acid

Conditions

Conditions	Yield
With hydrogenchloride for 7h; Heating;
With hydrogenchloride at 110 - 120℃; for 7h;

: 95574-97-3
(R)-(-)-4-chloro-3-hydroxybutanoic acid

A: 7013-05-0
(S)-4-amino-3-hydroxybutanoic acid

B: 7013-07-2
(R)-4-Amino-3-hydroxybutanoic acid

Conditions

Conditions	Yield
With ammonium hydroxide for 14h; Ambient temperature; Yield given. Yields of byproduct given. Title compound not separated from byproducts;

: (S)-methyl 4-amino-3-hydroxybutanoate hydrochloride

: 7013-05-0
(S)-4-amino-3-hydroxybutanoic acid

Conditions

Conditions	Yield
With water for 4h; Heating; Yield given;

: 116332-79-7
N-(<(2R,4S)-2-(tert-butyl)-6-oxo-1,3-dioxan-4-yl>methyl)acetamide

: 7013-05-0
(S)-4-amino-3-hydroxybutanoic acid

Conditions

Conditions	Yield
With hydrogenchloride for 2.5h; Heating;	160 mg

: Acetic acid (S)-1-aminomethyl-2-cyano-ethyl ester

: 7013-05-0
(S)-4-amino-3-hydroxybutanoic acid

Conditions

Conditions	Yield
With hydrogenchloride for 5h; Heating; Yield given;

: (S)-3-Acetoxy-4-amino-butyric acid methyl ester

: 7013-05-0
(S)-4-amino-3-hydroxybutanoic acid

Conditions

Conditions	Yield
With potassium carbonate In methanol for 8h; Ambient temperature; Yield given;

d-γ-benzamino-β-oxy-butyric acid: d-γ-benzamino-β-oxy-butyric acid

: 7013-05-0
(S)-4-amino-3-hydroxybutanoic acid

Conditions

Conditions	Yield
With hydrogen bromide
With hydrogen bromide vermutlich nicht ganz rein erhalten;

: 50-00-0
formaldehyd

: 7013-05-0
(S)-4-amino-3-hydroxybutanoic acid

: 99211-78-6
(S)-4-Dimethylamino-3-hydroxy-butyric acid

Conditions

Conditions	Yield
With hydrogen; palladium on activated charcoal In water at 20℃; under 4137.18 Torr; for 36h;	99%

: 7013-05-0
(S)-4-amino-3-hydroxybutanoic acid

: 100-51-6
benzyl alcohol

: C11H15NO3*ClH

Conditions

Conditions	Yield
With thionyl chloride at 70℃; for 2h;	95%

: 7013-05-0
(S)-4-amino-3-hydroxybutanoic acid

: 999-97-3
1,1,1,3,3,3-hexamethyl-disilazane

: (S)-4-Trimethylsilanyloxy-pyrrolidin-2-one

Conditions

Conditions	Yield
With chloro-trimethyl-silane In xylene for 8h; Cycloaddition; Heating;	85%

: 7013-05-0
(S)-4-amino-3-hydroxybutanoic acid

: 4-{[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylphenyl]methoxy}-2,5-difluorobenzaldehyde

: (3S)-4-{[(4-{[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylphenyl]methoxy}-2,5-difluorophenyl)methyl]amino}-3-hydroxybutanoic acid hydrochloride

Conditions

Conditions	Yield
With sodium cyanoborohydride; acetic acid In N,N-dimethyl-formamide at 80℃; for 3h;	36%

: 7013-05-0
(S)-4-amino-3-hydroxybutanoic acid

: 5-((2-formyl-4-methyl-5-(((2-methyl-[1,1′-biphenyl]-3-yl)methyl)amino)phenoxy)methyl)nicotinonitrile

A: (S)-4-((2-((5-cyanopyridin-3-yl)methoxy)-5-methyl-4-(((2-methyl-[1,1′-biphenyl]-3-yl)methyl)amino)benzyl)amino)-3-hydroxybutanoic acid

B: (S)-5-((2-((4-hydroxy-2-oxopyrrolidin-1-yl)methyl)-4-methyl-5-(((2-methyl-[1,1′-biphenyl]-3-yl)methyl)amino)phenoxy)methyl)nicotinonitrile

Conditions

Conditions	Yield
Stage #1: (S)-4-amino-3-hydroxybutanoic acid; 5-((2-formyl-4-methyl-5-(((2-methyl-[1,1′-biphenyl]-3-yl)methyl)amino)phenoxy)methyl)nicotinonitrile With acetic acid In N,N-dimethyl-formamide at 35℃; for 24h; Stage #2: With C8H14BO4(1-)*Na(1+) In N,N-dimethyl-formamide for 24h;	A 25% B 10%

...Expand

: 67-56-1
methanol

: 7013-05-0
(S)-4-amino-3-hydroxybutanoic acid

: 88759-60-8
(S)-4-amino-3-hydroxybutyric acid methyl ester

Conditions

Conditions	Yield
With hydrogenchloride for 16h; Heating;
With hydrogenchloride In water at 40℃; for 3h; Temperature; Reagent/catalyst; Cooling with ice;

: 7013-05-0
(S)-4-amino-3-hydroxybutanoic acid

: 68108-18-9
(4S)-4-hydroxypyrrolidin-2-one

Conditions

Conditions	Yield
With hydrogenchloride; 1,1,1,3,3,3-hexamethyl-disilazane 2.) iPrOH; Multistep reaction;

: 7013-05-0
(S)-4-amino-3-hydroxybutanoic acid

: 103-80-0
phenylacetyl chloride

: 111607-77-3
(S)-hydroxy-4 phenylacetyl-1 pyrrolidinone-2

Conditions

Conditions	Yield
With 1,1,1,3,3,3-hexamethyl-disilazane 1.) xylene, reflux, 4 h; 2.) 0 deg C to RT; Yield given. Multistep reaction;

: 7013-05-0
(S)-4-amino-3-hydroxybutanoic acid

: 1455091-23-2
1-cyano-4-hydroxy-7-phenoxyisoquinoline-3-carboxylic acid methyl ester

: 1455087-62-3
(S)-4-(1-cyano-4-hydroxy-7-phenoxyisoquinoline-3-carboxamido)-3-hydroxybutanoic acid

Conditions

Conditions	Yield
With sodium methylate In 2-methoxy-ethanol for 3h; Reflux;	27 mg

(S)-(+)-4-Amino-3-hydroxybutyric acid Specification

The (S)-(+)-4-Amino-3-hydroxybutyric acid, with the CAS registry number 7013-05-0, is also known as Butanoic acid, 4-amino-3-hydroxy-, (3S)-. It belongs to the product categories of Chiral; Carboxylic Acids; Chiral Building Blocks; Organic Building Blocks. This chemical's molecular formula is C₄H₉NO₃ and molecular weight is 119.12. Its systematic name is called (3S)-4-ammonio-3-hydroxybutanoate. This chemial is white to light yellow crystal powder.

Physical properties of (S)-(+)-4-Amino-3-hydroxybutyric acid: (1)ACD/LogP: -1.73; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 4; (9)#Freely Rotating Bonds: 5; (10)Index of Refraction: 1.51; (11)Molar Refractivity: 27.17 cm³; (12)Molar Volume: 90.7 cm³; (13)Surface Tension: 63.5 dyne/cm; (14)Density: 1.312 g/cm³; (15)Flash Point: 180.3 °C; (16)Enthalpy of Vaporization: 71.96 kJ/mol; (17)Boiling Point: 374.5 °C at 760 mmHg; (18)Vapour Pressure: 3.84E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-]C(=O)C[C@H](O)C[NH3+]
(2)InChI: InChI=1/C4H9NO3/c5-2-3(6)1-4(7)8/h3,6H,1-2,5H2,(H,7,8)/t3-/m0/s1
(3)InChIKey: YQGDEPYYFWUPGO-VKHMYHEABJ

Product Name

(S)-(+)-4-AMINO-3-HYDROXYBUTANOIC ACID

Synthetic route

(S)-(+)-4-Amino-3-hydroxybutyric acid Specification

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