methyl 2-chlorobenzo[d]thiazole-6-carboxylate

Base Information

• Chemical Name: methyl 2-chlorobenzo[d]thiazole-6-carboxylate
• CAS No.: 90792-69-1
• Molecular Formula: C9H6ClNO2S
• Molecular Weight: 227.671
• Hs Code.: 2934200090
• Mol file: 90792-69-1.mol

Synonyms:6-benzothiazolecarboxylic acid, 2-chloro-, methyl ester; Methyl 2-chloro-1,3-benzothiazole-6-carboxylate

Chemical Property of methyl 2-chlorobenzo[d]thiazole-6-carboxylate

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 131℃
• Boiling Point: 327.7°C at 760 mmHg
• PKA: -1.43±0.10(Predicted)
• Flash Point: 151.988°C
• PSA: 67.43000
• Density: 1.459g/cm³
• LogP: 2.73630
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C

Purity/Quality:

98%min ^*data from raw suppliers

Methyl2-Chlorobenzo[D]thiazole-6-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of methyl 2-chlorobenzo[d]thiazole-6-carboxylate

There total 3 articles about methyl 2-chlorobenzo[d]thiazole-6-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: 62.0%

2-aminobenzo[d]thiazole-6-carboxylic acid methyl ester (66947-92-0) → 2-chlorobenzo[d]thiazole-6-carboxylic acid methyl ester (90792-69-1)

Guidance literature:

2-aminobenzo[d]thiazole-6-carboxylic acid methyl ester; With phosphoric acid; sodium nitrite; In water; at -5 - 0 ℃; for 2.5h;

With copper(II) sulfate; sodium chloride; In water; at -5 - 20 ℃; for 1h; Inert atmosphere;

Reference yield:

4-methoxycarbonyl aniline (619-45-4) → 2-chlorobenzo[d]thiazole-6-carboxylic acid methyl ester (90792-69-1)

Guidance literature:

Multi-step reaction with 2 steps

1.1: bromine; acetic acid / 20 °C

2.1: phosphoric acid; sodium nitrite / water / 2.5 h / -5 - 0 °C

2.2: 1 h / -5 - 20 °C / Inert atmosphere

With phosphoric acid; bromine; acetic acid; sodium nitrite; In water;

Reference yield:

→ 2-chlorobenzo[d]thiazole-6-carboxylic acid methyl ester (90792-69-1)

Guidance literature:

With copper dichloride; isopentyl nitrite; In acetonitrile; at 60 ℃; for 1h;

upstream raw materials:

2-aminobenzo[d]thiazole-6-carboxylic acid methyl ester

4-methoxycarbonyl aniline

Refernces

• 1、 -. "NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AS FXR MODULATORS". Paragraph 0112; 0113. . Retrieved 2018/05/24.