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Name |
(2S,3R)-3-Amino-2-hydroxy-4-phenylbutyric acid |
EINECS | 1308068-626-2 |
CAS No. | 59554-14-2 | Density | 1.285 g/cm3 |
PSA | 83.55000 | LogP | 0.70220 |
Solubility | N/A | Melting Point |
235-237 °C (decomp) |
Formula | C10H13NO3 | Boiling Point | 428.5 °C at 760 mmHg |
Molecular Weight | 195.218 | Flash Point | 213 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Benzenebutanoicacid, b-amino-a-hydroxy-, [S-(R*,S*)]-;(2S,3R)-3-Amino-2-hydroxy-4-phenylbutanoic acid;(2S,3R)-3-Amino-2-hydroxy-4-phenylbutyricacid; |
Article Data | 14 |
(2S,3R)-3-Amino-2-hydroxy-4-phenyl-butyric acid isopropyl ester
(2S,3R)-3-amino-2-hydroxy-4-phenylbutanoic acid
Conditions | Yield |
---|---|
With hydrogenchloride; ion exchange resin (H+) 1.) 4 h, 100 deg C; | 85% |
(2S,3R)-2-hydroxy-4-phenyl-3-(tosylamino)butanoic acid
(2S,3R)-3-amino-2-hydroxy-4-phenylbutanoic acid
Conditions | Yield |
---|---|
With Na-naphthalide In 1,2-dimethoxyethane at -78℃; for 0.5h; | 82% |
(2S,3R)-3-benzyloxycarbonylamino-2-hydroxy-4-phenyl-butanoic acid
(2S,3R)-3-amino-2-hydroxy-4-phenylbutanoic acid
Conditions | Yield |
---|---|
With hydrogen; palladium |
methyl (4R,5S)-2-oxo-4-phenylmethyl-1,3-oxazolidine-5-carboxylate
(2S,3R)-3-amino-2-hydroxy-4-phenylbutanoic acid
Conditions | Yield |
---|---|
With lithium hydroxide In methanol; water |
methyl (2S,3R)-3-amino-2-hydroxy-4-phenylbutanoate
(2S,3R)-3-amino-2-hydroxy-4-phenylbutanoic acid
Conditions | Yield |
---|---|
With hydrogenchloride |
(2S,3R)-2-O-benzyl-4-phenyl-3-[(9-phenyl-9-fluorenyl)-amino]-phenylbutanoic acid
(2S,3R)-3-amino-2-hydroxy-4-phenylbutanoic acid
Conditions | Yield |
---|---|
With hydrogen; palladium on activated charcoal In methanol at 70℃; for 12h; |
(2S,3R)-3-azido-2-hydroxy-4-phenylbutanoic acid
(2S,3R)-3-amino-2-hydroxy-4-phenylbutanoic acid
Conditions | Yield |
---|---|
With sodium tetrahydroborate; copper(II) nitrate In water at 0℃; for 0.5h; |
(4S,5R)-4,5-dihydro-2-phenyl-4-carboethoxy-5-benzyl-1,3-oxazole
(2S,3R)-3-amino-2-hydroxy-4-phenylbutanoic acid
Conditions | Yield |
---|---|
With hydrogenchloride In ethanol; water for 8h; Heating; |
ethyl (2R,3S)-4-phenyl-2,3-oxiranebutanoate
(2S,3R)-3-amino-2-hydroxy-4-phenylbutanoic acid
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: 78 percent / BF3*Et2O / 0 - 20 °C 2: hydrochloric acid / H2O; ethanol / 8 h / Heating View Scheme |
ethyl 3-oxo-4-phenylbutyrate
(2S,3R)-3-amino-2-hydroxy-4-phenylbutanoic acid
Conditions | Yield |
---|---|
Multi-step reaction with 5 steps 1: 92 percent / sulfuryl chloride / CHCl3 / 20 °C 2: 82 percent / Escherichia coli BL21(DE3)(pIK4) overexpressing reductase; glucose; air / KPi buffer; XAD-4 resin / 24 h / 30 °C / pH 5.6 3: 99 percent / potassium carbonate / H2O; dimethylformamide / 5 h / 20 °C 4: 78 percent / BF3*Et2O / 0 - 20 °C 5: hydrochloric acid / H2O; ethanol / 8 h / Heating View Scheme |
The cas register number of (2S,3R)-3-Amino-2-hydroxy-4-phenylbutyric acid is 59554-14-2. It also can be called as Benzenebutanoic acid, b-amino-a-hydroxy-, (aS,bR)- and the Systematic name about this chemical is 3-amino-2-hydroxy-4-phenylbutanoic acid.
Physical properties about (2S,3R)-3-Amino-2-hydroxy-4-phenylbutyric acid are: (1)ACD/LogP: 1.36; (2)ACD/LogD (pH 5.5): -1.14; (3)ACD/LogD (pH 7.4): -1.14; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 4; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 6; (11)Polar Surface Area: 38.77Å2; (12)Index of Refraction: 1.595; (13)Molar Refractivity: 51.61 cm3; (14)Molar Volume: 151.8 cm3; (15)Polarizability: 20.46x10-24cm3; (16)Surface Tension: 61.8 dyne/cm; (17)Enthalpy of Vaporization: 72.07 kJ/mol; (18)Vapour Pressure: 4.17E-08 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C(O)C(N)Cc1ccccc1
(2)InChI: InChI=1/C10H13NO3/c11-8(9(12)10(13)14)6-7-4-2-1-3-5-7/h1-5,8-9,12H,6,11H2,(H,13,14)
(3)InChIKey: LDSJMFGYNFIFRK-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C10H13NO3/c11-8(9(12)10(13)14)6-7-4-2-1-3-5-7/h1-5,8-9,12H,6,11H2,(H,13,14)
(5)Std. InChIKey: LDSJMFGYNFIFRK-UHFFFAOYSA-N