3-HYDROXY-4-METHYLBENZOIC ACID ETHYL ESTER

Base Information

• Chemical Name: 3-HYDROXY-4-METHYLBENZOIC ACID ETHYL ESTER
• CAS No.: 33414-48-1
• Molecular Formula: C10H12O3
• Molecular Weight: 180.203
• Hs Code.: 2918290000
• Mol file: 33414-48-1.mol

Synonyms:3-HYDROXY-4-METHYLBENZOIC ACID ETHYL ESTER;Ethyl 3-hydroxy-4-methylbenzoate

Chemical Property of 3-HYDROXY-4-METHYLBENZOIC ACID ETHYL ESTER

Chemical Property:

• Vapor Pressure: 0.000383mmHg at 25°C
• Melting Point: 75.6-76.0 °C
• Boiling Point: 308.1°C at 760 mmHg
• PKA: 9.54±0.10(Predicted)
• Flash Point: 132.4°C
• PSA: 46.53000
• Density: 1.136g/cm³
• LogP: 1.87730

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 3-HYDROXY-4-METHYLBENZOIC ACID ETHYL ESTER

There total 3 articles about 3-HYDROXY-4-METHYLBENZOIC ACID ETHYL ESTER 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: 98.0%

→ 3-hydroxy-p-toluic acid ethyl ester (33414-48-1)

Guidance literature:

Reference yield: 97.8%

ethanol (64-17-5) + 3-hydroxy-4-methylbenzoic acid (586-30-1) → 3-hydroxy-p-toluic acid ethyl ester (33414-48-1)

Guidance literature:

With sulfuric acid; for 20h; Heating / reflux;

Reference yield:

3-hydroxy-4-methyl-2H-pyran-2-one (942499-01-6) + ethyl β-nitroacrylate (5941-50-4,105576-14-5,1851-82-7) → 3-hydroxy-p-toluic acid ethyl ester (33414-48-1)

Guidance literature:

With aluminum (III) chloride; 2,6-di-tert-butyl-4-methyl-phenol; In 1,2-dichloro-benzene; at 150 ℃; for 16h; Inert atmosphere; Sealed tube;

DOI:10.1021/acs.orglett.0c02157

upstream raw materials:

ethanol

3-hydroxy-4-methylbenzoic acid

3-hydroxy-4-methyl-2H-pyran-2-one

ethyl β-nitroacrylate

Downstream raw materials:

3-methoxymethoxy-4-methyl-benzoic acid ethyl ester

2-methyl-5-(5-methyl-[1,3,4]oxadiazol-2-yl)-phenol

3-hydroxy-4-methyl-benzoic acid hydrazide

Refernces

• 1、 Zhang, Xiaojie,Beaudry, Christopher M.. "Synthesis of Highly Substituted Phenols and Benzenes with Complete Regiochemical Control". supporting information. p. 6086 - 6090. Retrieved 2020/08/12.
• 2、 -. "Substituted thieno[3,2-C]pyridine carboxylic acid derivatives". Page/Page column 7. . Retrieved 2008/06/13.