Cyclohexenothiazole

Base Information

• Chemical Name: Cyclohexenothiazole
• CAS No.: 4433-49-2
• Molecular Formula: C7H9NS
• Molecular Weight: 139.221
• Hs Code.: 2934999090
• Mol file: 4433-49-2.mol

Synonyms:4,5,6,7-tetrahydro-benzothiazole;4,5-Tetramethylen-thiazol;4,5,6,7-Tetrahydro-benzothiazol;4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine hydrochloride;4,5,6,7-Tetrahydro-benzothiazol-2-ylamin,Hydrochlorid;4,5,6,7-Tetrahydro-benzothiazol-2-ylamine hydrochloride;

Chemical Property of Cyclohexenothiazole

Chemical Property:

• PSA: 41.13000
• LogP: 2.02190

Purity/Quality:

95% ^*data from raw suppliers

4,5,6,7-tetrahydro-Benzothiazole 97.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of Cyclohexenothiazole

There total 5 articles about Cyclohexenothiazole 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: 58.0%

2-Amino-4,5,6,7-tetrahydrobenzothiazole (2933-29-1) → 4,5,6,7-tetrahydrobenzo[d]thiazole (4433-49-2)

Guidance literature:

2-Amino-4,5,6,7-tetrahydrobenzothiazole; With phosphoric acid; sodium nitrite; at -8 ℃; for 1h;

With hypophosphorous acid; at 0 ℃; for 3h;

DOI:10.1021/jm0303857

Reference yield: 52.1%

thiocarboxamide (115-08-2) + 2-Chlorocyclohexanone (822-87-7) → 4,5,6,7-tetrahydrobenzo[d]thiazole (4433-49-2)

Guidance literature:

With magnesium carbonate; In 1,4-dioxane; at 100 ℃; for 24h;

Reference yield:

2,4,5,6,7,7a-hexahydro-benzothiazole (89776-03-4) → 4,5,6,7-tetrahydrobenzo[d]thiazole (4433-49-2)

Guidance literature:

With sulfur; at 150 ℃; for 2h;

upstream raw materials:

2-bromocyclohexanone

thiocarboxamide

2,4,5,6,7,7a-hexahydro-benzothiazole

2-Amino-4,5,6,7-tetrahydrobenzothiazole

Refernces

• 1、 Costanzo, Michael J.,Almond Jr., Harold R.,Hecker, Leonard R.,Schott, Mary R.,Yabut, Stephen C.,Zhang, Han-Cheng,Andrade-Gordon, Patricia,Corcoran, Thomas W.,Giardino, Edward C.,Kauffman, Jack A.,Lewis, Joan M.,De Garavilla, Lawrence,Haertlein, Barbara J.,Maryanoff, Bruce E.. "In-depth study of tripeptide-based α-ketoheterocycles as inhibitors of thrombin. Effective utilization of the S1′ subsite and its implications to structure-based drug design". . p. 1984 - 2008. Retrieved 2007/10/03.
• 2、 -. "Intermediates for making N-aryl and N-heteroarylamide and urea derivatives as inhibitors of acyl coenzyme A: cholesterol acyl transferase (ACAT)". . . Retrieved 2008/06/13.