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Cas Database |
| Name |
(S)-3-(4-Hydroxyphenyl)-2-hydroxypropionic acid |
EINECS | N/A |
| CAS No. | 23508-35-2 | Density | 1.405 g/cm3 |
| PSA | 77.76000 | LogP | 0.38020 |
| Solubility | N/A | Melting Point |
165-168 °C |
| Formula | C9H10O4 | Boiling Point | 414.439 °C at 760 mmHg |
| Molecular Weight | 182.176 | Flash Point | 218.597 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Benzenepropanoicacid, a,4-dihydroxy-, (S)-;Lactic acid,3-(p-hydroxyphenyl)-, (+)- (8CI);(+)-3-(4-Hydroxyphenyl)lactic acid;(2S)-3-(4-Hydroxyphenyl)-2-hydroxypropionic acid;(S)-2-Hydroxy-3-(4-hydroxyphenyl)propionic acid;(S)-3-(4-Hydroxyphenyl)-2-hydroxypropanoic acid;(S)-3-(4-Hydroxyphenyl)lacticacid;L-p-Hydroxyphenyllactic acid; |
Article Data | 39 |
(S)-3-(4-Hydroxyphenyl)-2-hydroxypropionic acid Synthetic route
- 156-39-8
4-Hydroxyphenylpyruvic acid
- 23508-35-2
(S)-2-hydroxy-3-(4-hydroxy-phenyl)-propionic acid
| Conditions | Yield |
|---|---|
| With triethylamine; B-chlorodiisopinocampheylborane In tetrahydrofuran | 92% |
| With triethylamine; B-chlorodiisopinocampheylborane In tetrahydrofuran at -30℃; optical yield given as %ee; | 78% |
| Stage #1: 4-hydroxyphenylpiruvic acid With triethylamine In N,N-dimethyl-formamide at -40℃; for 0.166667h; Stage #2: With B-chlorodiisopinocampheylborane In tetrahydrofuran; N,N-dimethyl-formamide at -20 - 20℃; for 12.5h; enantioselective reaction; | 71% |
- 23508-35-2
(S)-2-hydroxy-3-(4-hydroxy-phenyl)-propionic acid
| Conditions | Yield |
|---|---|
| With hydrogenchloride; sodium iodide at 110℃; for 24h; | 91% |
- 343880-41-1
(S)-2-ethoxy-3-(4-methoxyphenyl)propanoic acid
A
- 23508-35-2
(S)-2-hydroxy-3-(4-hydroxy-phenyl)-propionic acid
B
- 33173-34-1
(S)-2-hydroxy-3-(4-methoxyphenyl)propanoic acid
| Conditions | Yield |
|---|---|
| With boron tribromide In dichloromethane at -10℃; | A 7% B 90% |
- 343880-41-1
(S)-2-ethoxy-3-(4-methoxyphenyl)propanoic acid
A
- 23508-35-2
(S)-2-hydroxy-3-(4-hydroxy-phenyl)-propionic acid
B
- 325793-65-5
(2S)-2-Ethoxy-3-(4-hydroxyphenyl)propanoic acid
| Conditions | Yield |
|---|---|
| With hydrogen iodide In water | A 10% B 80% |
- 60-18-4
L-tyrosine
A
- 156-39-8
4-Hydroxyphenylpyruvic acid
B
- 23508-35-2
(S)-2-hydroxy-3-(4-hydroxy-phenyl)-propionic acid
| Conditions | Yield |
|---|---|
| With formate dehydrogenase; oxygen; ammonium formate; NADH In aq. phosphate buffer at 21℃; under 750.075 Torr; for 7h; pH=7; Concentration; Enzymatic reaction; stereoselective reaction; | A 2 %Chromat. B 80% |
- 162919-37-1
(S)-3-(4-(benzyloxy)phenyl)-2-hydroxypropanoic acid
- 23508-35-2
(S)-2-hydroxy-3-(4-hydroxy-phenyl)-propionic acid
| Conditions | Yield |
|---|---|
| With hydrogen; 10 percent Pd/C In methanol; ethyl acetate for 20h; atmospheric pressure; | 70% |
- 556-02-5
tyrosine
- 23508-35-2
(S)-2-hydroxy-3-(4-hydroxy-phenyl)-propionic acid
- 23508-35-2
(S)-2-hydroxy-3-(4-hydroxy-phenyl)-propionic acid
- 60-18-4
L-tyrosine
- 23508-35-2
(S)-2-hydroxy-3-(4-hydroxy-phenyl)-propionic acid
| Conditions | Yield |
|---|---|
| With nitric acid | |
| durch Einwirkung von Bacillus subtilis in Gegenwart von Phosphaten; | |
| With bacterium subtilis | |
| With barium nitrite; sulfuric acid |
- 943-80-6
4-amino-L-phenylalanine
- 23508-35-2
(S)-2-hydroxy-3-(4-hydroxy-phenyl)-propionic acid
| Conditions | Yield |
|---|---|
| With hydrogenchloride; sodium nitrite 1.) 0 deg C, overnight, 2.) reflux, 15 min; Yield given. Multistep reaction; |
(S)-3-(4-Hydroxyphenyl)-2-hydroxypropionic acid Specification
The (S)-3-(4-Hydroxyphenyl)-2-hydroxypropionic acid, with the CAS registry number 23508-35-2, is also known as Benzenepropanoic acid, α,4-dihydroxy-, (alphas)-. This chemical's molecular formula is C9H10O4 and molecular weight is 182.17. What's more, its systematic name is called (2S)-2-Hydroxy-3-(4-hydroxyphenyl)propanoic acid.
Physical properties about (S)-3-(4-Hydroxyphenyl)-2-hydroxypropionic acid are: (1) ACD/LogP: -0.41; (2) # of Rule of 5 Violations: 0; (3) #H bond acceptors: 4; (4) #H bond donors: 3; (5) #Freely Rotating Bonds: 5; (6) Polar Surface Area: 77.76 Å2; (7) Index of Refraction: 1.617; (8) Molar Refractivity: 45.375 cm3; (9) Molar Volume: 129.695 cm3; (10) Polarizability: 17.988 10-24cm3; (11) Surface Tension: 69.576 dyne/cm; (12) Density: 1.405 g/cm3; (13) Flash Point: 218.597 °C; (14) Enthalpy of Vaporization: 70.364 kJ/mol; (15) Boiling Point: 414.439 °C at 760 mmHg; (16) Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)[C@@H](O)Cc1ccc(O)cc1
(2) InChI: InChI=1/C9H10O4/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8,10-11H,5H2,(H,12,13)/t8-/m0/s1
(3) InChIKey: JVGVDSSUAVXRDY-QMMMGPOBBM
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