Methyl 3-methyl-2-benzofurancarboxylate

Base Information

• Chemical Name: Methyl 3-methyl-2-benzofurancarboxylate
• CAS No.: 2076-36-0
• Molecular Formula: C11H10O3
• Molecular Weight: 190.199
• Hs Code.: 2932999099
• European Community (EC) Number: 218-198-4
• DSSTox Substance ID: DTXSID40174830
• Nikkaji Number: J298.683C
• Wikidata: Q72492749
• Mol file: 2076-36-0.mol

Synonyms:2076-36-0;methyl 3-methyl-1-benzofuran-2-carboxylate;Methyl 3-methylbenzofuran-2-carboxylate;Methyl 3-methyl-2-benzofurancarboxylate;3-METHYLBENZOFURAN-2-CARBOXYLIC ACID METHYL ESTER;EINECS 218-198-4;SCHEMBL443475;DTXSID40174830;MFCD09270117;STK281622;AKOS000298719;Methyl3-methylbenzofuran-2-carboxylate;CG-0200;EN300-129255;3-Methyl-benzofuran-2-carboxylic acid methyl ester;Z16243261

Chemical Property of Methyl 3-methyl-2-benzofurancarboxylate

Chemical Property:

• Vapor Pressure: 0.00535mmHg at 25°C
• Refractive Index: 1.574
• Boiling Point: 274.6 °C at 760 mmHg
• Flash Point: 119.9 °C
• PSA: 39.44000
• Density: 1.184 g/cm³
• LogP: 2.52780
• Storage Temp.: 2-8°C
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 190.062994177
• Heavy Atom Count: 14
• Complexity: 227

Purity/Quality:

99% ^*data from raw suppliers

Methyl3-methyl-1-benzofuran-2-carboxylate 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(OC2=CC=CC=C12)C(=O)OC
• Uses: 3-Methylbenzofuran-2-carboxylic Acid Methyl Ester acts as a reagent in the synthesis and SAR of highly selective MMP-13 Inhibitors, preparation of saframycin analogs for the treatment of cancer.

Technology Process of Methyl 3-methyl-2-benzofurancarboxylate

There total 23 articles about Methyl 3-methyl-2-benzofurancarboxylate 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%

3-methyl-1-benzofuran-2-carboxylic acid (24673-56-1) + methyl iodide (74-88-4) → methyl 3-methylbenzofuran-2-carboxylate (2076-36-0)

Guidance literature:

With 1,8-diazabicyclo[5.4.0]undec-7-ene; In benzene; for 2h; Ambient temperature;

DOI:10.1021/jm00099a007

Reference yield: 94.0%

methanol (67-56-1) + 3-methyl-1-benzofuran-2-carboxylic acid (24673-56-1) → methyl 3-methylbenzofuran-2-carboxylate (2076-36-0)

Guidance literature:

With acetyl chloride; for 17h; Heating / reflux;

Reference yield: 93.0%

diazomethane (186581-53-3,908094-01-9,334-88-3) + 3-methyl-1-benzofuran-2-carboxylic acid (24673-56-1) → methyl 3-methylbenzofuran-2-carboxylate (2076-36-0)

Guidance literature:

In diethyl ether; for 0.333333h; Ambient temperature;

DOI:10.1246/bcsj.56.2762

upstream raw materials:

diazomethane

3-methyl-1-benzofuran-2-carboxylic acid

methanol

methyl iodide

Downstream raw materials:

3-bromomethylbenzofuran-2-carboxylic acid methyl ester

3-methylbenzofuran-2-carboxaldehyde

2-(hydroxymethyl)-3-methylbenzofuran

Refernces

• 1、 -. "Benzo-five-membered heterocycle HPPD inhibitor or salt thereof, herbicide composition, preparing method and application". . . Retrieved 2019/10/22.
• 2、 Liu, Guixia,Shen, Yangyang,Zhou, Zhi,Lu, Xiyan. "Rhodium(III)-catalyzed redox-neutral coupling of N-phenoxyacetamides and alkynes with tunable selectivity". . p. 6033 - 6037. Retrieved 2013/07/19.