5-CHLORO-4-NITROTHIOPHENE-2-CARBOXYLIC ACID METHYL ESTER

Base Information

• Chemical Name: 5-CHLORO-4-NITROTHIOPHENE-2-CARBOXYLIC ACID METHYL ESTER
• CAS No.: 57800-76-7
• Molecular Formula: C6H4 Cl N O4 S
• Molecular Weight: 221.621
• Hs Code.: 2934999090
• Mol file: 57800-76-7.mol

Synonyms:Methyl5-chloro-4-nitro-2-thiophenecarboxylate

Chemical Property of 5-CHLORO-4-NITROTHIOPHENE-2-CARBOXYLIC ACID METHYL ESTER

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 83-84 °C
• Boiling Point: 358.168°C at 760 mmHg
• Flash Point: 170.414°C
• PSA: 100.36000
• Density: 1.5g/cm³
• LogP: 2.61950
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C

Purity/Quality:

98%min ^*data from raw suppliers

Methyl5-Chloro-4-nitrothiophene-2-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 5-CHLORO-4-NITROTHIOPHENE-2-CARBOXYLIC ACID METHYL ESTER

There total 4 articles about 5-CHLORO-4-NITROTHIOPHENE-2-CARBOXYLIC ACID METHYL 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: 75.0%

methanol (67-56-1) + 5-chloro-4-nitrothiophene-2-carboxylic acid (89166-85-8) → 5-chloro-4-nitrothiophene-2-carboxylic acid methyl ester (57800-76-7)

Guidance literature:

With thionyl chloride; for 20h; Reflux;

Reference yield: 58.0%

methyl 5-chloro-2-thiophenecarboxylate (35475-03-7) → 5-chloro-4-nitrothiophene-2-carboxylic acid methyl ester (57800-76-7)

Guidance literature:

With nitric acid; at 0 ℃; for 1h;

Reference yield:

5-Chlorothiophene-2-carboxylic acid (24065-33-6) → 5-chloro-4-nitrothiophene-2-carboxylic acid methyl ester (57800-76-7)

Guidance literature:

Multi-step reaction with 2 steps

2: sulfuric acid; nitric acid

With sulfuric acid; nitric acid;

DOI:10.1021/ja01132a004

upstream raw materials:

methyl 5-chloro-2-thiophenecarboxylate

5-Chlorothiophene-2-carboxylic acid

methanol

5-chloro-4-nitrothiophene-2-carboxylic acid

Downstream raw materials:

methyl 5-(2,4-dimethoxybenzylamino)-4-nitrothiophene-2-carboxylate

methyl 4-nitro-5-phenoxythiophene-2-carboxylate

N-(5-(3-(2-cyanopropan-2-yl)benzamido)-2-methylphenyl)-2-(isopropylamino)thieno[2,3-b]pyrazine-6-carboxamide

N-(5-(3-(2-cyanopropan-2-yl)benzamido)-2-methylphenyl)-2-(methylamino)thieno[2,3-b]pyrazine-6-carboxamide

Refernces

• 1、 Zhang, Jiankang,Xi, Jianjun,He, Ruoyu,Zhuang, Rangxiao,Kong, Limin,Fu, Liping,Zhao, Yanmei,Zhang, Chong,Zeng, Linghui,Lu, Jingyi,Tao, Rujia,Liu, Zhengmengtong,Zhu, Huajian,Liu, Shourong. "Discovery of 3-(thiophen/thiazole-2-ylthio)pyridine derivatives as multitarget anticancer agents". . p. 1633 - 1647. Retrieved 2019/07/30.
• 2、 -. "HETEROCYCLIC DERIVATIVES AND USE THEREOF". Page/Page column 114. . Retrieved 2015/01/06.