5-Amino-2-chlorobenzothiazole

Base Information

• Chemical Name: 5-Amino-2-chlorobenzothiazole
• CAS No.: 80945-82-0
• Molecular Formula: C₇H₅ClN₂S
• Molecular Weight: 184.649
• Hs Code.: 2934999090
• European Community (EC) Number: 831-896-9
• DSSTox Substance ID: DTXSID00493271
• Wikidata: Q72517282
• Mol file: 80945-82-0.mol

Synonyms:5-Amino-2-chlorobenzothiazole;80945-82-0;2-chloro-1,3-benzothiazol-5-amine;2-CHLORO-5-BENZOTHIAZOLAMINE;2-chlorobenzo[d]thiazol-5-amine;5-Benzothiazolamine, 2-chloro-;5-Amino-2-chlorobenzo[d]thiazole;SCHEMBL617011;DTXSID00493271;MFCD11040282;AKOS006308858;CCG-321390;CS-W006010;CS-10364;VU0618510-1;EN300-154831;J-516683;F3395-0767;Ethyl 2-benzyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylate

Chemical Property of 5-Amino-2-chlorobenzothiazole

Chemical Property:

• Vapor Pressure: 0.000106mmHg at 25°C
• Boiling Point: 337.3ºC at 760 mmHg
• Flash Point: 157.8ºC
• PSA: 67.15000
• Density: 1.532
• LogP: 3.11310
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 183.9861970
• Heavy Atom Count: 11
• Complexity: 155

Purity/Quality:

99% ^*data from raw suppliers

2-Chloro-5-benzothiazolamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=C1N)N=C(S2)Cl

Technology Process of 5-Amino-2-chlorobenzothiazole

There total 5 articles about 5-Amino-2-chlorobenzothiazole 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:

→ 2-chlorobenzothiazol-6-ylamine (2406-90-8) + 2-chlorobenzo[d]thiazol-5-amine (80945-82-0)

Guidance literature:

With hydrogen; In ethanol;

Reference yield:

2-chloro-5-nitro-benzothiazole (3622-38-6) → 2-chlorobenzo[d]thiazol-5-amine (80945-82-0)

Guidance literature:

With iron; acetic acid; In ethanol; Heating;

DOI:10.1021/jm00275a022

Reference yield:

5-nitro-2-mercaptobenzothiazole (58759-63-0) → 2-chlorobenzo[d]thiazol-5-amine (80945-82-0)

Guidance literature:

Multi-step reaction with 2 steps

1: thionyl chloride / 2 h / 0 - 20 °C

2: iron; acetic acid / ethanol / 1.5 h / Reflux

With thionyl chloride; iron; acetic acid; In ethanol;

upstream raw materials:

2-chloro-5-nitro-benzothiazole

5-nitro-2-mercaptobenzothiazole

6-fluoro-3-nitroaniline

Downstream raw materials:

N-{2-[4-(2-diethylamino-ethoxy)-anilino]-benzothiazol-5-yl}-acetamide

2-chloro-benzothiazole-5-sulfonic acid anilide

Refernces

• 1、 -. "INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 AND TYPE 2". Page/Page column 90. . Retrieved 2010/02/06.