Methyl 3-(bromomethyl)thiophene-2-carboxylate

Base Information

• Chemical Name: Methyl 3-(bromomethyl)thiophene-2-carboxylate
• CAS No.: 59961-15-8
• Molecular Formula: C7H7BrO2S
• Molecular Weight: 235.101
• Hs Code.: 2934999090
• European Community (EC) Number: 675-860-9
• DSSTox Substance ID: DTXSID60441455
• Nikkaji Number: J1.488.597H
• Wikidata: Q82258226
• Mol file: 59961-15-8.mol

Synonyms:59961-15-8;Methyl 3-(bromomethyl)thiophene-2-carboxylate;3-Bromomethyl-thiophene-2-carboxylic acid methyl ester;3-Bromomethyl-thiophene-2-carboxyli;Methyl3-(bromomethyl)thiophene-2-carboxylate;3-Bromomethyl-thiophene-2-carboxylicacidmethylester;SCHEMBL158675;DTXSID60441455;INQCGTXAYKWHGH-UHFFFAOYSA-N;methyl 3-(bromomethyl)-2-thenoate;MFCD08689596;AKOS015852121;AS-33688;methyl 3-bromomethyl-2-thiophenecarboxylate;Methyl 3-bromomethylthiophene-2-carboxylate;A8402;FT-0718544;EN300-71925;Q-102490;3-Bromomethylthiophene-2-carboxylic acid methyl ester;3-(Bromomethyl)thiophene-2-carboxylic acid methyl ester

Chemical Property of Methyl 3-(bromomethyl)thiophene-2-carboxylate

Chemical Property:

• Vapor Pressure: 0.001mmHg at 25°C
• Melting Point: 32-33 °C
• Refractive Index: 1.585
• Boiling Point: 310.223 °C at 760 mmHg
• Flash Point: 141.418 °C
• PSA: 54.54000
• Density: 1.607g/cm³
• LogP: 2.42960
• Storage Temp.: 2-8°C
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 233.93501
• Heavy Atom Count: 11
• Complexity: 151

Purity/Quality:

98% ^*data from raw suppliers

3-Bromomethyl-thiophene-2-carboxylic acid methyl ester 95 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=C(C=CS1)CBr

Technology Process of Methyl 3-(bromomethyl)thiophene-2-carboxylate

There total 6 articles about Methyl 3-(bromomethyl)thiophene-2-carboxylate 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%

methyl 3-methylthiophene-2-carboxylate (81452-54-2) → methyl 3-(bromomethyl)thiophene-2-carboxylate (59961-15-8)

Guidance literature:

With N-Bromosuccinimide; 2,2'-azobis(isobutyronitrile); In tetrachloromethane; at 70 ℃; for 3h; Inert atmosphere; Reflux;

Reference yield: 59.0%

→ methyl 3-(bromomethyl)thiophene-2-carboxylate (59961-15-8)

Guidance literature:

With N-Bromosuccinimide; dibenzoyl peroxide; In tetrachloromethane; at 85 ℃; for 3h;

Reference yield:

3-methyl-2-thiophenecarboxylic acid (23806-24-8) → methyl 3-(bromomethyl)thiophene-2-carboxylate (59961-15-8)

Guidance literature:

Multi-step reaction with 2 steps

1: H₂SO₄ / Heating

2: NBS; benzoyl peroxide / CCl₄

With N-Bromosuccinimide; sulfuric acid; dibenzoyl peroxide; In tetrachloromethane;

DOI:10.1021/jm061041u

upstream raw materials:

methyl 3-methylthiophene-2-carboxylate

3-methyl-2-thiophenecarboxylic acid

2-iodo-3-methylthiophene

3-methyl-2-thienylmagnesium iodide

Refernces

• 1、 -. "ASK1 INHIBITOR COMPOUNDS AND USES THEREOF". Paragraph 0182. . Retrieved 2019/07/20.
• 2、 -. "COMPOUNDS TARGETING PROTEINS, COMPOSITIONS, METHODS, AND USES THEREOF". Paragraph 0358. . Retrieved 2018/07/04.