7-Benzothiazolecarboxylicacid(9CI)

Base Information

• Chemical Name: 7-Benzothiazolecarboxylicacid(9CI)
• CAS No.: 677304-83-5
• Molecular Formula: C8H5NO2S
• Molecular Weight: 179.20
• Hs Code.: 2934200090
• Mol file: 677304-83-5.mol

Synonyms:1,3-Benzothiazole-7-carboxylic acid;

Chemical Property of 7-Benzothiazolecarboxylicacid(9CI)

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.732
• Boiling Point: 387.668 °C at 760 mmHg
• Flash Point: 188.255 °C
• PSA: 78.43000
• Density: 1.509 g/cm³
• LogP: 1.99450
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: Aqueous Base (Slightly), DMSO (Slightly), Methanol (Very Slightly)

Purity/Quality:

97% ^*data from raw suppliers

7-BenzothiazolecarboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: 7-Benzothiazolecarboxylic Acid is an intermediate used in the synthesis of pyrazole inhibitors of coactivator associated arginine methyltransferase 1 (CARM1). It is also used to prepare aminofuro-pyridine derivatives as inhibitors of TAK1.

Technology Process of 7-Benzothiazolecarboxylicacid(9CI)

There total 5 articles about 7-Benzothiazolecarboxylicacid(9CI) 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: 91.0%

ethyl 1,3-benzothiazole-7-carboxylate (677304-90-4) → benzo[d]thiazole-7-carboxylic acid (677304-83-5)

Guidance literature:

With sodium hydroxide; In tetrahydrofuran; methanol; water; at 20 ℃; for 4h;

Reference yield:

methyl benzo[d]thiazole-7-carboxylate (1038509-28-2) → benzo[d]thiazole-7-carboxylic acid (677304-83-5)

Guidance literature:

methyl benzo[d]thiazole-7-carboxylate; With sodium hydroxide; water; In tetrahydrofuran; methanol; at 0 ℃; for 4h;

With hydrogenchloride; In water; at 0 ℃; for 0.5h; pH=5;

Reference yield:

Methyl 3-aminobenzoate (4518-10-9) → benzo[d]thiazole-7-carboxylic acid (677304-83-5)

Guidance literature:

Multi-step reaction with 4 steps

1.1: sulfuric acid / chlorobenzene / -10 °C

1.2: -10 - 100 °C

2.1: bromine; acetic acid / 0 - 70 °C

3.1: isopentyl nitrite / tetrahydrofuran / 4 h / Reflux

4.1: water; sodium hydroxide / tetrahydrofuran; methanol / 4 h / 0 °C

4.2: 0.5 h / 0 °C / pH 5

With sulfuric acid; water; bromine; acetic acid; sodium hydroxide; isopentyl nitrite; In tetrahydrofuran; methanol; chlorobenzene;

upstream raw materials:

ethyl 1,3-benzothiazole-7-carboxylate

methyl benzo[d]thiazole-7-carboxylate

Methyl 3-aminobenzoate

methyl 2-aminobenzo[d]thiazole-7-carboxylate