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CAS No.: | 156-38-7 |
---|---|
Name: | 4-Hydroxyphenylacetic acid |
Article Data: | 132 |
Molecular Structure: | |
Formula: | C8H8O3 |
Molecular Weight: | 152.15 |
Synonyms: | Acetic acid, (p-hydroxyphenyl)-;4-HPA;2-(4-hydroxyphenyl)acetate;Para Hydroxy Phenyl Acetic;P-Hydroxyphenyl acetic acid;4-Hydroxy Phenyl Acetic Acid;4-Hydroxyphenylaceticacid;4-Hydroxyphenyl acetic acid;4-Carboxymethylphenol;benzeneacetic acid, 4-hydroxy-;4-10-00-00543 (Beilstein Handbook Reference);(p-Hydroxyphenyl)acetic acid; |
EINECS: | 205-851-3 |
Density: | 1.319 g/cm3 |
Melting Point: | 148-151 °C(lit.) |
Boiling Point: | 346.6 °C at 760 mmHg |
Flash Point: | 177.6 °C |
Solubility: | Soluble in dimethyl sulfoxide and methanol. Slightly soluble in water. |
Appearance: | white or light yellow crystalline powder |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36-24/25 |
PSA: | 57.53000 |
LogP: | 1.01930 |
4-hydroxyphenylacetate
Conditions | Yield |
---|---|
With boron tribromide In dichloromethane at -78 - -15℃; for 4h; Inert atmosphere; | 99% |
With boron tribromide In dichloromethane at -78℃; for 0.5h; | 93% |
With hydrogen bromide; cetyltributylphosphonium bromide for 7.5h; Heating; | 87% |
4-(benzyloxy)phenylacetic acid benzyl ester
4-hydroxyphenylacetate
Conditions | Yield |
---|---|
With hydrogen; palladium on activated charcoal In methanol at 20℃; for 3h; | 99% |
Conditions | Yield |
---|---|
In aq. buffer pH=4 - 7.4; pH-value; Irradiation; | A 99% B 99% |
A
4-hydroxyphenylacetate
B
piperidine hydrobromide
Conditions | Yield |
---|---|
In aq. acetate buffer pH=5.6; pH-value; Irradiation; | A 99% B 99% |
ω-amino-4-hydroxyacetophenone hydrochloride
4-hydroxyphenylacetate
Conditions | Yield |
---|---|
In aq. acetate buffer pH=5.6; pH-value; Irradiation; | 99% |
Conditions | Yield |
---|---|
With β-D-glucose; oxygen for 18h; Reagent/catalyst; Enzymatic reaction; | A n/a B 97.3% |
(4-chloro-phenyl)-acetic acid methyl ester
4-hydroxyphenylacetate
Conditions | Yield |
---|---|
With sodium hydroxide | 96% |
Conditions | Yield |
---|---|
In water pH=5.6; pH-value; Irradiation; | A 95% B 95% |
4-hydroxyphenylacetate
Conditions | Yield |
---|---|
In acetonitrile Quantum yield; Solvent; UV-irradiation; | 95% |
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Reported in EPA TSCA Inventory.
4-Hydroxyphenylacetic acid, with the CAS NO.156-38-7, is an important intermediate which is used for syntheses of substances useful for pharmaceuticals. Therefore, it is generally beneficial that the acid is advantageously manufactured on an industrial scale. It is also called (p-hydroxyphenyl)-aceticaci; 4-carboxymethylphenol; 4-hydroxy-benzeneaceticaci; 4-hydroxybenzeneaceticacid; 4-hydroxyphenylethanoicacid; Acetic acid, (p-hydroxyphenyl)-; ethanoicacid,4-hydroxyphenyl-.
Physical properties about 4-Hydroxyphenylacetic acid are: (1)ACD/LogP: 0.692; (2)ACD/LogD (pH 5.5): -0.39; (3)ACD/LogD (pH 7.4): -2.19; (4)ACD/BCF (pH 5.5): 1.00; (5)ACD/BCF (pH 7.4): 1.00; (6)ACD/KOC (pH 5.5):4.70; (7)ACD/KOC (pH 7.4): 1.00; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 3; (11)Index of Refraction: 1.596; (12)Molar Refractivity: 39.248 cm3; (13)Molar Volume: 115.306 cm3; (14)Polarizability: 15.559 10-24cm3; (15)Surface Tension: 59.8230018615723 dyne/cm; (16)Density: 1.32 g/cm3; (17)Flash Point: 177.631 °C; (18)Enthalpy of Vaporization: 62.351 kJ/mol; (19)Boiling Point: 346.627 °C at 760 mmHg
Preparation of 4-Hydroxyphenylacetic acid: A method in which anisole, which is a starting material, is subjected to chloromethylation and a cyanation to be thereby converted to 4-methoxyphenylacetonitrile (Organikum, Berlin, nine edit., p. 363); and the resultant4-methoxyphenylacetonitrile is saponified to produce an acid, which is subsequently treated with hydriodic acid to eliminate an ether, whereby 4-hydroxyphenylacetic acid is obtained as the desired product.
When you are using this chemical, please be cautious about it as the following:
1. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice;
2. Wear suitable protective clothing;
3. Avoid contact with skin and eyes;
You can still convert the following datas into molecular structure:
(1)InChI=1S/C8H8O3/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4,9H,5H2,(H,10,11);
(2)InChIKey=XQXPVVBIMDBYFF-UHFFFAOYSA-N;
(3)Smilesc1(ccc(O)cc1)CC(O)=O;
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intraperitoneal | 3500mg/kg (3500mg/kg) | Farmaco, Edizione Scientifica. Vol. 13, Pg. 286, 1958. |