2-(METHYLSULFONYL)BENZOTHIAZOLE, 97

Base Information

• Chemical Name: 2-(METHYLSULFONYL)BENZOTHIAZOLE, 97
• CAS No.: 7144-49-2
• Molecular Formula: C8H7 N O2 S2
• Molecular Weight: 213.281
• Hs Code.: 2934200090
• Mol file: 7144-49-2.mol

Synonyms:2-(Methylsulfonyl)benzothiazole;Methyl 2-benzothiazolyl sulfone; NSC 51671

Chemical Property of 2-(METHYLSULFONYL)BENZOTHIAZOLE, 97

Chemical Property:

• Vapor Pressure: 2.38E-05mmHg at 25°C
• Melting Point: 86-89 °C(lit.)
• Boiling Point: 370.3°C at 760 mmHg
• PKA: -2.43±0.10(Predicted)
• Flash Point: 177.7°C
• PSA: 83.65000
• Density: 1.440
• LogP: 2.78060
• Storage Temp.: 2-8°C

Purity/Quality:

99%, ^*data from raw suppliers

2-(Methylsulfonyl)benzo[d]thiazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 2-(METHYLSULFONYL)BENZOTHIAZOLE, 97

There total 10 articles about 2-(METHYLSULFONYL)BENZOTHIAZOLE, 97 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: 100.0%

2-(benzothiazol-2-ylsulfonyl)acetic acid → 2-methanesulfonylbenzothiazole (7144-49-2)

Guidance literature:

In dimethyl sulfoxide; at 20 ℃; for 1.1h;

DOI:10.1055/s-0029-1219185

Reference yield: 99.7%

2-methylmercaptobenzothiazole (615-22-5) → 2-methanesulfonylbenzothiazole (7144-49-2)

Guidance literature:

With sodium hypochlorite; isocyanuric acid; In water; toluene; at 20 ℃; for 2.5h;

Reference yield: 84.0%

2-methylmercaptobenzothiazole (615-22-5) → 2-(methylsulfinyl)benzothiazole (3507-54-8) + 2-methanesulfonylbenzothiazole (7144-49-2)

Guidance literature:

2-methylmercaptobenzothiazole; With sodium tungstate (VI) dihydrate; In ethanol; at 0 ℃; for 0.0833333h; Inert atmosphere;

With dihydrogen peroxide; In ethanol; water; at 0 - 20 ℃; for 10.5h; Inert atmosphere;

DOI:10.1021/jo102326p

upstream raw materials:

2-methylmercaptobenzothiazole

2-methylthiobenzothiazole hydroiodide

2-Mercaptobenzothiazole

2-bromo-1,3-benzothiazole

Downstream raw materials:

2-Acetylaminobenzothiazole

2-<4-(diphenylmethyl)piperazin-1-yl>benzothiazole

2-(benzo[d]thiazol-2-ylsulfonyl)-1-phenylethan-1-one

2-hydroxybenzothiazole

Refernces

• 1、 Thierry, Thibault,Pfund, Emmanuel,Lequeux, Thierry. "Metal-Free Aminomethylation of Aromatic Sulfones Promoted by Eosin Y". supporting information. p. 14826 - 14830. Retrieved 2021/10/01.
• 2、 Yang, Jinchuang,Wang, Lianyue,Lv, Ying,Li, Ning,An, Yue,Gao, Shuang. "Oxidative kinetic resolution of heterocyclic sulfoxides with a porphyrin-inspired manganese complex by hydrogen peroxide". supporting information. p. 156 - 159. Retrieved 2017/12/15.