Methyl 2-(4-hydroxy-3-methylphenyl)acetate

Base Information

• Chemical Name: Methyl 2-(4-hydroxy-3-methylphenyl)acetate
• CAS No.: 64360-47-0
• Molecular Formula: C10H12O3
• Molecular Weight: 180.203
• Hs Code.: 2918290000
• DSSTox Substance ID: DTXSID10492992
• Mol file: 64360-47-0.mol

Synonyms:64360-47-0;Methyl 2-(4-hydroxy-3-methylphenyl)acetate;2-(4-Hydroxy-3-methylphenyl)acetic acid methyl ester;METHYL 4-HYDROXY-3-METHYLPHENYLACETATE;Methyl2-(4-hydroxy-3-methylphenyl)acetate;(4-Hydroxy-3-methylphenyl)acetic acid methyl ester;MFCD08234607;Benzeneacetic acid, 4-hydroxy-3-methyl-, methyl ester;SCHEMBL2127019;DTXSID10492992;UBFCYPQWMPUWJN-UHFFFAOYSA-N;CL8812;AKOS006287652;AB43599;CS-W022784;DS-10753;Methyl (4-hydroxy-3-methylphenyl)acetate;FT-0600059;Methyl 2-(4-hydroxy-3-methyl-phenyl)acetate;EN300-6497423;A867894;J-522650;(4-Hydroxy-3-methyl-phenyl)-acetic acid methyl ester

Chemical Property of Methyl 2-(4-hydroxy-3-methylphenyl)acetate

Chemical Property:

• Vapor Pressure: 0.00158mmHg at 25°C
• Refractive Index: 1.535
• Boiling Point: 285.9 °C at 760 mmHg
• PKA: 10.12±0.18(Predicted)
• Flash Point: 119.9 °C
• PSA: 46.53000
• Density: 1.148 g/cm³
• LogP: 1.41610
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 180.078644241
• Heavy Atom Count: 13
• Complexity: 179

Purity/Quality:

99% ^*data from raw suppliers

(4-Hydroxy-3-methylphenyl)aceticAcidMethylEster ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=CC(=C1)CC(=O)OC)O
• Uses: (4-Hydroxy-3-methylphenyl)acetic Acid Methyl Ester is an ester derivative of a disubstituted phenylacetic acid. (4-Hydroxy-3-methylphenyl)acetic Acid Methyl Ester is used in the preparation of antiinflammatory agents as well as other biologically active compounds.

Technology Process of Methyl 2-(4-hydroxy-3-methylphenyl)acetate

There total 3 articles about Methyl 2-(4-hydroxy-3-methylphenyl)acetate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

2-(4-methoxy-3-methylphenyl)acetonitrile (75391-57-0) → (4-hydroxy-3-methylphenyl)acetic acid methyl ester (64360-47-0)

Guidance literature:

With boron tribromide; In dichloromethane; at -78 - 20 ℃; for 20.5h;

Reference yield:

2-methylmethoxybenzene (578-58-5) → (4-hydroxy-3-methylphenyl)acetic acid methyl ester (64360-47-0)

Guidance literature:

Multi-step reaction with 2 steps

1: HCl

2: (i), (ii) aq. HBr, (iii) /BRN= 1098229/, HCl

With hydrogenchloride;

DOI:10.1135/cccc19771723

Reference yield:

methanol (67-56-1) + 3-methyl-4-methoxybenzyl chloride (60736-71-2) + sodium cyanide (143-33-9,25596-52-5) → (4-hydroxy-3-methylphenyl)acetic acid methyl ester (64360-47-0)

Guidance literature:

Multistep reaction; (i), (ii) aq. HBr, (iii) /BRN= 1098229/, HCl;

DOI:10.1135/cccc19771723

upstream raw materials:

methanol

3-methyl-4-methoxybenzyl chloride

sodium cyanide

2-methylmethoxybenzene

Downstream raw materials:

4-{4-[(4-chloro-3-trifluoromethylphenylcarbamoyl)methyl]-2-methylphenoxy}-pyridine-2-carboxyl acid methylamide

(4-hydroxy-3-methylphenyl)acetic acid

N-(4-chloro-3-trifluoromethylphenyl)-2-(4-hydroxy-3-methylphenyl)acetamide

Refernces

• 1、 Kuchar,Brunova,Rejholec,et al.. "Substituted benzyloxyarylacetic acids: synthesis and quantitative relationships between structure and antiinflammatory activity". . p. 1723 - 1735. Retrieved 2007/10/05.