5-Bromobenzothiazole

Base Information

• Chemical Name: 5-Bromobenzothiazole
• CAS No.: 768-11-6
• Molecular Formula: C7H4 Br N S
• Molecular Weight: 214.085
• Hs Code.: 2934999090
• European Community (EC) Number: 805-001-7
• DSSTox Substance ID: DTXSID40394152
• Wikidata: Q72451727
• Mol file: 768-11-6.mol

Synonyms:5-bromobenzothiazole;768-11-6;5-bromo-1,3-benzothiazole;5-bromo-benzothiazole;5-BROMOBENZO[D]THIAZOLE;MFCD03001442;Benzothiazole, 5-bromo-;5-bromobenzothiazole, 97%;SCHEMBL858270;5-bromanyl-1,3-benzothiazole;5-bromobenzothiazole, AldrichCPR;DTXSID40394152;KFDDRUWQFQJGNL-UHFFFAOYSA-N;AMY23911;AKOS015834697;AB12828;CS-W004741;FS-2969;SY025301;FT-0647650;EN300-122403;A838838;J-517159;Z1269222968

Chemical Property of 5-Bromobenzothiazole

Chemical Property:

• Vapor Pressure: 0.00339mmHg at 25°C
• Melting Point: 105-110°C
• Boiling Point: 291.5°C at 760 mmHg
• PKA: 0.34±0.10(Predicted)
• Flash Point: 130.1°C
• PSA: 41.13000
• Density: 1.748g/cm³
• LogP: 3.05880
• Storage Temp.: 2-8°C
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 212.92478
• Heavy Atom Count: 10
• Complexity: 131

Purity/Quality:

99% ^*data from raw suppliers

5-Bromobenzothiazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=C1Br)N=CS2

Technology Process of 5-Bromobenzothiazole

There total 5 articles about 5-Bromobenzothiazole 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: 97.0%

→ 5-bromo-benzthiazole (768-11-6)

Guidance literature:

With water; caesium carbonate; for 0.166667h; Microwave irradiation;

Reference yield:

5-aminobenzothiazole (1123-93-9) → 5-bromo-benzthiazole (768-11-6)

Guidance literature:

DOI:10.1021/jo00870a007

Reference yield:

5‐bromo‐1,3‐benzothiazol‐2‐amine (20358-03-6) → 5-bromo-benzthiazole (768-11-6)

Guidance literature:

With isopentyl nitrite; In tetrahydrofuran; for 0.5h; Schlenk technique; Reflux;

DOI:10.1039/d1cc00621e

upstream raw materials:

5-aminobenzothiazole

2-amino-4-bromobenzenethiol

orthoformic acid triethyl ester

4-bromo-2-nitrobenzenethiol

Downstream raw materials:

5‐(4,4,5,5‐tetramethyl‐1,3,2‐dioxaborolan‐2‐yl)‐1,3‐benzothiazole

ethyl 5-bromo-2-(4-fluorophenyl)-2H-benzo[d]thiazole-3-carboxylate

5-benzylbenzothiazole

5‐bromo‐1,3‐benzothiazol‐2‐amine

Refernces

• 1、 Wu, Yue,Guo, Peng,Chen, Long,Duan, Weijie,Yang, Zengzhuan,Wang, Tao,Chen, Ting,Xiong, Fei. "Iron-catalyzed tandem oxidative coupling and acetal hydrolysis reaction to prepare formylated benzothiazoles and isoquinolines". supporting information. p. 3271 - 3274. Retrieved 2021/04/07.
• 2、 -. "USE OF TRIFLUOROMETHYL SUBSTITUTED BENZAMIDES IN THE TREATMENT OF NEUROLOGICAL DISORDERS". Page/Page column 42. . Retrieved 2008/06/13.