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621-37-4

Basic Information
CAS No.: 621-37-4
Name: 3-Hydroxyphenylacetic acid
Article Data: 27
Molecular Structure:
Molecular Structure of 621-37-4 (3-Hydroxyphenylacetic acid)
Formula: C8H8O3
Molecular Weight: 152.15
Synonyms: 2-(3-hydroxyphenyl)acetic acid;3-Hydroxyphenylacetic acid;
EINECS: 210-684-4
Density: 1.319 g/cm3
Melting Point: 129-133 °C(lit.)
Boiling Point: 349 °C at 760 mmHg
Flash Point: 179.1 °C
Appearance: White Powder
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36
PSA: 57.53000
LogP: 1.01930
Synthetic route
156945-58-3

<3-(allyloxy)phenyl>acetic acid

621-37-4

3-hydroxyphenylacetic acid

Conditions
ConditionsYield
With sodium tetrahydroborate; tetrakis(triphenylphosphine) palladium(0) In tetrahydrofuran for 1h;98%

2-(pyrimidin-5-yl)phenyl 2-(3-acetoxyphenyl)acetate

621-37-4

3-hydroxyphenylacetic acid

Conditions
ConditionsYield
With water; lithium hydroxide In tetrahydrofuran; methanol at 20℃; for 12h;85%
1878-69-9

3-iodophenylacetic acid

621-37-4

3-hydroxyphenylacetic acid

Conditions
ConditionsYield
With copper(I) oxide; 1D-1-O-Methyl-muco-inostol; sodium hydroxide In water at 100℃; for 6h;71%
With copper(I) oxide; 1-D-O-Methyl-chiro-inositol; sodium hydroxide In water at 100℃; for 6h;71%
1878-65-5

3-chlorophenylacetic acid

A

621-37-4

3-hydroxyphenylacetic acid

B

100-51-6

benzyl alcohol

Conditions
ConditionsYield
With caesium carbonate In methanol for 1h; UV-irradiation; Inert atmosphere;A 53%
B 45%
67-56-1

methanol

1878-65-5

3-chlorophenylacetic acid

A

538-86-3

benzyl methyl ether

B

621-37-4

3-hydroxyphenylacetic acid

C

100-51-6

benzyl alcohol

Conditions
ConditionsYield
With caesium carbonate In aq. buffer for 1h; UV-irradiation; Inert atmosphere;A 8%
B 47%
C 34%

C10H9Cl3O3

621-37-4

3-hydroxyphenylacetic acid

Conditions
ConditionsYield
With indium; deuterated ammonium chloride In tetrahydrofuran-d8; water-d2 at 20℃; for 24h; Reflux; chemoselective reaction;32%
2861-28-1

1,3-benzodioxole-5-acetic acid

621-37-4

3-hydroxyphenylacetic acid

Conditions
ConditionsYield
With sodium hydroxide; aluminum nickel
121-71-1

3-Hydroxyacetophenone

621-37-4

3-hydroxyphenylacetic acid

Conditions
ConditionsYield
With diammonium sulfide; sulfur; isopropyl alcohol at 160℃; Erhitzen des von Ammoniak, Schwefelwasserstoff und Isopropylalkohol befreiten Reaktionsgemisches mit wss. Natronlauge;
Yield given. Multistep reaction;
1798-09-0

m-methoxyphenylacetic acid

621-37-4

3-hydroxyphenylacetic acid

Conditions
ConditionsYield
With hydrogen iodide
With hydrogen iodide
25263-44-9

3-Hydroxyphenylacetonitrile

621-37-4

3-hydroxyphenylacetic acid

Conditions
ConditionsYield
With hydrogenchloride
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    Product Name: 3-Hydroxyphenylacetic acid CAS: 621-37-4 MF: C8H8O3 MW: 152.15 EINECS: 210-684-4 Mol File: 621-37-4.mol 3-Hydroxyphenylacetic acid Structure 3-Hydroxyphenylacetic acid Chemical Properties Melting point 129-133 &d

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  • 3-Hydroxyphenylacetic acid

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Specification

1. Introduction of 3-Hydroxyphenylacetic acid
3-Hydroxyphenylacetic acid, with the CAS registry number 621-37-4, is also known as 3-Hydroxyphenylacetic acid. It belongs to the product categories of Aromatic Phenylacetic Acids and Derivatives; Aromatics; Carbonyl Compounds; Carboxylic Acids. What's more, its IUPAC name is 2-(3-hydroxyphenyl)acetic acid.

2. Properties of 3-Hydroxyphenylacetic acid
(1)ACD/LogP: 0.77; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.58; (4)ACD/LogD (pH 7.4): -2.35; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 2.78; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 35.53 Å2; (13)Index of Refraction: 1.596; (14)Molar Refractivity: 39.24 cm3; (15)Molar Volume: 115.3 cm3; (16)Surface Tension: 59.8 dyne/cm; (17)Density: 1.319 g/cm3; (18)Flash Point: 179.1 °C; (19)Enthalpy of Vaporization: 62.63 kJ/mol; (20)Boiling Point: 349 °C at 760 mmHg; (21)Vapour Pressure: 1.81E-05 mmHg at 25°C.

3. Structure Descriptors of 3-Hydroxyphenylacetic acid
(1)Canonical SMILES: C1=CC(=CC(=C1)O)CC(=O)O
(2)InChI: InChI=1S/C8H8O3/c9-7-3-1-2-6(4-7)5-8(10)11/h1-4,9H,5H2,(H,10,11)
(3)InChIKey: FVMDYYGIDFPZAX-UHFFFAOYSA-N  

4. Safety Information of 3-Hydroxyphenylacetic acid
Hazard Symbols:IrritantXi
Risk Codes:
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Description:
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36:Wear suitable protective clothing. 

5. Preparation of 3-Hydroxyphenylacetic acid
3-Hydroxyphenylacetic acid can be prepared by (3-hydroxy-phenyl)-acetic acid and 3-bromo-propene by heating. This reaction will need reagent NaH and solvent tetrahydrofuran. The reaction time is 15 hours. The yield is about 98%.



6. Use of 3-Hydroxyphenylacetic acid
3-Hydroxyphenylacetic acid can be used to produce ethyl 3-hydroxyphenylacetate by heating. It will need reagent H2SO4 with reaction time of 7 hours. The yield is about 94%.



7. Other details of
3-Hydroxyphenylacetic acid
When you are using this chemical, please be cautious about it as the following:
3-Hydroxyphenylacetic acid is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. You need wear suitable protective clothing.