Methyl 4-hydroxy-2-methylbenzoate

Base Information

• Chemical Name: Methyl 4-hydroxy-2-methylbenzoate
• CAS No.: 57556-31-7
• Molecular Formula: C9H10O3
• Molecular Weight: 166.177
• European Community (EC) Number: 691-019-9
• DSSTox Substance ID: DTXSID70493405
• Nikkaji Number: J2.003.315K
• Wikidata: Q72491360
• Mol file: 57556-31-7.mol

Synonyms:methyl 4-hydroxy-2-methylbenzoate;57556-31-7;Benzoic acid, 4-hydroxy-2-methyl-, methyl ester;4-hydroxy-2-methyl-benzoic acid methyl ester;methyl 2-methyl-4-hydroxybenzoate;MFCD09752667;SCHEMBL131661;methyl4-hydroxy-2-methylbenzoate;DTXSID70493405;FINKSGWSBJRISB-UHFFFAOYSA-N;AMY41964;BCP24536;Methyl-4-Hydroxybenzoesauremethylester;AKOS006327533;DS-13859;SY108877;4-hydroxy-2-methylbenzoic acid methyl ester;CS-0038132;FT-0725801;4-hydroxy-2-methyl benzoic acid methyl ester;EN300-300777;W11074;CIS,CIS-1,3,5-CYCLOHEXANETRIOLDIHYDRATE;AE-562/43459973

Chemical Property of Methyl 4-hydroxy-2-methylbenzoate

Chemical Property:

• Vapor Pressure: 0.003mmHg at 25°C
• Melting Point: 106-110℃
• Boiling Point: 275℃
• PKA: 8.47±0.18(Predicted)
• Flash Point: 117℃
• Density: 1.169
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 166.062994177
• Heavy Atom Count: 12
• Complexity: 167

Purity/Quality:

98%Min ^*data from raw suppliers

Methyl4-Hydroxy-2-methylbenzoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=CC(=C1)O)C(=O)OC

Technology Process of Methyl 4-hydroxy-2-methylbenzoate

There total 10 articles about Methyl 4-hydroxy-2-methylbenzoate 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: 100.0%

4-hydroxy-2-methylbenzoic acid (578-39-2) → 4-hydroxy-2-methylbenzoic acid methyl ester (57556-31-7)

Guidance literature:

With thionyl chloride; In methanol; water; ethyl acetate;

Reference yield: 100.0%

methanol (67-56-1) + 4-hydroxy-2-methylbenzoic acid (578-39-2) → 4-hydroxy-2-methylbenzoic acid methyl ester (57556-31-7)

Guidance literature:

With thionyl chloride; at 0 - 60 ℃;

Reference yield: 93.0%

tert-Butyl-dimethyl-(3,3,5-trimethyl-cyclohexa-1,5-dienyloxy)-silane + propynoic acid methyl ester (922-67-8) → 4-hydroxy-2-methylbenzoic acid methyl ester (57556-31-7)

Guidance literature:

In toluene; Heating;

DOI:10.1016/S0040-4020(01)89106-7

upstream raw materials:

4-hydroxy-2-methylbenzoic acid

propynoic acid methyl ester

methanol

4-hydroxy-2-methylbenzonitrile

Downstream raw materials:

4-ethoxy-2-methyl-benzoic acid methyl ester

4-cyclopropylmethoxy-2-methyl-benzoic acid methyl ester

5-hydroxy-3-[2-({[1-(1-methyl-1H-imidazol-4-ylmethyl)-1H-indol-6-ylmethyl]amino}methyl)-1H-indol-3-yl]-2,3-dihydroisoindol-1-one

(S)-5-hydroxy-3-[2-({[1-(1-methyl-1H-imidazol-4-ylmethyl)-1H-indol-6-ylmethyl]amino}methyl)-1H-indol-3-yl]-2,3-dihydroisoindol-1-one

Refernces

• 1、 Gaikwad, Vinayak V.,Bhanage, Bhalchandra M.. "Palladium-Catalyzed Aerobic Oxidative Carbonylation of C–H Bonds in Phenols for the Synthesis of p-Hydroxybenzoates". . p. 2877 - 2881. Retrieved 2018/06/21.
• 2、 Liang, Yu-Feng,Song, Song,Ai, Lingsheng,Li, Xinwei,Jiao, Ning. "A highly efficient metal-free approach to: Meta - And multiple-substituted phenols via a simple oxidation of cyclohexenones". supporting information. p. 6462 - 6467. Retrieved 2018/06/08.