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CAS No.: | 23508-35-2 |
---|---|
Name: | (S)-3-(4-HYDROXYPHENYL)-2-HYDROXYPROPIONIC ACID |
Article Data: | 39 |
Molecular Structure: | |
Formula: | C9H10O4 |
Molecular Weight: | 182.176 |
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; |
Density: | 1.405 g/cm3 |
Melting Point: | 165-168 °C |
Boiling Point: | 414.439 °C at 760 mmHg |
Flash Point: | 218.597 °C |
PSA: | 77.76000 |
LogP: | 0.38020 |
4-Hydroxyphenylpyruvic acid
(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% |
(S)-2-hydroxy-3-(4-hydroxy-phenyl)-propionic acid
Conditions | Yield |
---|---|
With hydrogenchloride; sodium iodide at 110℃; for 24h; | 91% |
(S)-2-ethoxy-3-(4-methoxyphenyl)propanoic acid
A
(S)-2-hydroxy-3-(4-hydroxy-phenyl)-propionic acid
B
(S)-2-hydroxy-3-(4-methoxyphenyl)propanoic acid
Conditions | Yield |
---|---|
With boron tribromide In dichloromethane at -10℃; | A 7% B 90% |
(S)-2-ethoxy-3-(4-methoxyphenyl)propanoic acid
A
(S)-2-hydroxy-3-(4-hydroxy-phenyl)-propionic acid
B
(2S)-2-Ethoxy-3-(4-hydroxyphenyl)propanoic acid
Conditions | Yield |
---|---|
With hydrogen iodide In water | A 10% B 80% |
L-tyrosine
A
4-Hydroxyphenylpyruvic acid
B
(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% |
(S)-3-(4-(benzyloxy)phenyl)-2-hydroxypropanoic acid
(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% |
tyrosine
(S)-2-hydroxy-3-(4-hydroxy-phenyl)-propionic acid
(S)-2-hydroxy-3-(4-hydroxy-phenyl)-propionic acid
L-tyrosine
(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 |
4-amino-L-phenylalanine
(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; |
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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