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Cas Database |
| Name |
(S)-(+)-4-Amino-3-hydroxybutyric acid |
EINECS | N/A |
| CAS No. | 7013-05-0 | Density | 1.312 g/cm3 |
| PSA | 83.55000 | LogP | -0.51900 |
| Solubility | N/A | 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 | N/A | Appearance | white to light yellow crystal powder |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| 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; |
Article Data | 25 |
(S)-(+)-4-Amino-3-hydroxybutyric acid Synthetic route
- 132882-98-5
(-)-ethyl 3-cyano-3-hydroxypropionate
- 7013-05-0
(S)-4-amino-3-hydroxybutanoic acid
| Conditions | Yield |
|---|---|
| With borane-THF; nickel dichloride In isopropyl alcohol for 2h; Ambient temperature; | 100% |
- 7013-05-0
(S)-4-amino-3-hydroxybutanoic acid
| 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 | 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 | 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 | 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 | 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 | 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 | 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 | Yield |
|---|---|
| With palladium 10% on activated carbon; hydrogen In methanol at 20℃; under 11251.1 Torr; Inert atmosphere; | 73% |
- 7013-05-0
(S)-4-amino-3-hydroxybutanoic acid
| Conditions | Yield |
|---|---|
| With palladium 10% on activated carbon; hydrogen In methanol at 20℃; under 11251.1 Torr; | 73% |
(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
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