2-Chloro-6-cyanobenzothiazole

Base Information

• Chemical Name: 2-Chloro-6-cyanobenzothiazole
• CAS No.: 80945-83-1
• Molecular Formula: C8H3ClN2S
• Molecular Weight: 194.644
• Hs Code.: 2934200090
• Mol file: 80945-83-1.mol

Synonyms:2-Chloro-1,3-benzothiazole-6-carbonitrile;2-Chloro-6-cyanobenzothiazole;

Chemical Property of 2-Chloro-6-cyanobenzothiazole

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.7
• Boiling Point: 336.594 °C at 760 mmHg
• PKA: -2.07±0.10(Predicted)
• Flash Point: 157.367 °C
• PSA: 64.92000
• Density: 1.51 g/cm³
• LogP: 2.82138
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-Chlorobenzothiazole-6-carbonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: 2-Chlorobenzothiazole-6-carbonitrile

Technology Process of 2-Chloro-6-cyanobenzothiazole

There total 7 articles about 2-Chloro-6-cyanobenzothiazole 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: 90.0%

2-mercapto-1,3-benzothiazole-6-carbonitrile (315228-79-6) → 2-chloro-1,3-benzothiazole-6-carbonitrile (80945-83-1)

Guidance literature:

2-mercapto-1,3-benzothiazole-6-carbonitrile; With sulfuryl dichloride; at 20 - 25 ℃; for 0.25h; Inert atmosphere;

With water; at 20 - 25 ℃; for 3h; Reagent/catalyst; Inert atmosphere;

DOI:10.1055/s-0036-1591553

Reference yield: 61.0%

2-amino-6-cyanobenzthiazole (19759-66-1) → 2-chloro-1,3-benzothiazole-6-carbonitrile (80945-83-1)

Guidance literature:

2-amino-6-cyanobenzthiazole; With hydrogenchloride; sodium nitrite; In water; at -5 - 0 ℃; for 0.5h;

With copper dichloride; In water; at 0 ℃; for 2.16667h;

Reference yield:

2-oxo-2,3-dihydro-benzothiazole-6-carbonitrile → 2-chloro-1,3-benzothiazole-6-carbonitrile (80945-83-1)

Guidance literature:

With trichlorophosphate; In N,N-dimethyl-formamide; at 110 ℃;

DOI:10.1016/j.bmcl.2012.07.046

upstream raw materials:

2-amino-6-cyanobenzthiazole

4-amino-3-chlorobenzonitrile

4-amino-3-mercaptobenzonitrile

2-mercapto-1,3-benzothiazole-6-carbonitrile

Downstream raw materials:

2-(piperazin-1-yl)benzothiazole-6-carbonitrile

C₁₈H₁₇N₃S

Refernces

• 1、 -. "Novel Compounds". Page/Page column 81. . Retrieved 2017/07/06.
• 2、 Hua, Zihao,Huang, Xin,Bregman, Howard,Chakka, Nagasree,Dimauro, Erin F.,Doherty, Elizabeth M.,Goldstein, Jon,Gunaydin, Hakan,Huang, Hongbing,Mercede, Stephanie,Newcomb, John,Patel, Vinod F.,Turci, Susan M.,Yan, Jie,Wilson, Cindy,Martin, Matthew W.. "2-Phenylamino-6-cyano-1H-benzimidazole-based isoform selective casein kinase 1 gamma (CK1γ) inhibitors". scheme or table. p. 5392 - 5395. Retrieved 2012/09/22.