6-Chlorobenzo[d]thiazole-2-carboxylic acid

Base Information

• Chemical Name: 6-Chlorobenzo[d]thiazole-2-carboxylic acid
• CAS No.: 3622-03-5
• Molecular Formula: C8H4 Cl N O2 S
• Molecular Weight: 213.644
• Hs Code.: 2934200090
• DSSTox Substance ID: DTXSID90551753
• Wikidata: Q82431575
• Mol file: 3622-03-5.mol

Synonyms:6-Chlorobenzo[d]thiazole-2-carboxylic acid;3622-03-5;6-Chloro-1,3-benzothiazole-2-carboxylic acid;2-Benzothiazolecarboxylicacid, 6-chloro-;2-benzothiazolecarboxylic acid,6-chloro-;SCHEMBL3641915;DTXSID90551753;MFCD09953956;AKOS016005701;FS-3692;6-Chlorobenzo[d]thiazole-2-carboxylicacid

Chemical Property of 6-Chlorobenzo[d]thiazole-2-carboxylic acid

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.734
• Boiling Point: 411.675°C at 760 mmHg
• Flash Point: 202.774°C
• PSA: 78.43000
• Density: 1.634g/cm³
• LogP: 2.64790
• Storage Temp.: 2-8°C
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 212.9651272
• Heavy Atom Count: 13
• Complexity: 226

Purity/Quality:

99% ^*data from raw suppliers

6-Chlorobenzo[d]thiazole-2-carboxylicacid 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=C1Cl)SC(=N2)C(=O)O

Technology Process of 6-Chlorobenzo[d]thiazole-2-carboxylic acid

There total 2 articles about 6-Chlorobenzo[d]thiazole-2-carboxylic acid 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:

6-chloro-1,3-benzothiazole (2942-10-1) + carbon dioxide (124-38-9,18923-20-1) → 6-chlorobenzo[d]thiazole-2-carboxylic acid (3622-03-5)

Guidance literature:

With C₂₇H₃₇ClCuN₃; potassium tert-butylate; In tetrahydrofuran; at 80 ℃; for 8h; under 760.051 Torr; Inert atmosphere; sealed tube;

DOI:10.1021/ol301760n

Reference yield:

→ 6-chlorobenzo[d]thiazole-2-carboxylic acid (3622-03-5)

Guidance literature:

aus N-Carboxythiocarbonyl-4-chlor-anilin in wss. NaOH mit wss. K3Fe(CN)6;

Reference yield: 100.0%

trans-N-Boc-1,4-cyclohexanediamine (177906-48-8) + 6-chlorobenzo[d]thiazole-2-carboxylic acid (3622-03-5) → trans-tert-butyl (4-(6-chlorobenzo[d]thiazole-2-carboxamido)cyclohexyl)carbamate

Guidance literature:

6-chlorobenzo[d]thiazole-2-carboxylic acid; With N-ethyl-N,N-diisopropylamine; HATU; In N,N-dimethyl-formamide; for 0.5h;

trans-N-Boc-1,4-cyclohexanediamine; In N,N-dimethyl-formamide; at 20 ℃;

upstream raw materials:

6-chloro-1,3-benzothiazole

carbon dioxide