1,3-Benzothiazole-4-sulfonyl chloride

Base Information

• Chemical Name: 1,3-Benzothiazole-4-sulfonyl chloride
• CAS No.: 149575-65-5
• Molecular Formula: C7H4ClNO2S2
• Molecular Weight: 233.699
• Hs Code.: 2934208090
• European Community (EC) Number: 825-306-9
• DSSTox Substance ID: DTXSID40565961
• Wikidata: Q82451335
• Mol file: 149575-65-5.mol

Synonyms:149575-65-5;1,3-BENZOTHIAZOLE-4-SULFONYL CHLORIDE;Benzo[d]thiazole-4-sulfonyl chloride;4-Benzothiazolesulfonyl Chloride;MFCD16251206;benzothiazole-4-sulfonyl chloride;SCHEMBL3739722;DTXSID40565961;BCP34434;Benzo[d]thiazole-4-sulfonylchloride;AKOS006334624;SY157100;CS-0447096;EN300-152503;F18395;J-008601

Chemical Property of 1,3-Benzothiazole-4-sulfonyl chloride

Chemical Property:

• Melting Point: 108-109 °C
• Boiling Point: 376.977 °C at 760 mmHg
• PKA: -4.33±0.10(Predicted)
• Flash Point: 181.79 °C
• PSA: 83.65000
• Density: 1.635 g/cm³
• LogP: 3.30460
• Storage Temp.: Refrigerator, Under Inert Atmosphere
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 232.9371984
• Heavy Atom Count: 13
• Complexity: 287

Purity/Quality:

99%, ^*data from raw suppliers

1,3-Benzothiazole-4-sulfonylChloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC2=C(C(=C1)S(=O)(=O)Cl)N=CS2

Technology Process of 1,3-Benzothiazole-4-sulfonyl chloride

There total 1 articles about 1,3-Benzothiazole-4-sulfonyl chloride 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:

1,3-Benzothiazole (95-16-9) → 1,3-benzothiazole-4-sulfonyl chloride (149575-65-5)

Guidance literature:

With chlorosulfonic acid; at 0 - 105 ℃;

Reference yield: 91.0%

4-bromo-2-aminobenzoic acid piperidine amide (791098-10-7) + 1,3-benzothiazole-4-sulfonyl chloride (149575-65-5) → benzothiazole-4-sulfonic acid [5-bromo-2-(piperidine-1-carbonyl)-phenyl]-amide (1033464-71-9)

Guidance literature:

With pyridine; In dichloromethane; at 23 ℃;

DOI:10.1016/j.bmc.2008.01.059

Reference yield:

1,3-benzothiazole-4-sulfonyl chloride (149575-65-5) + (4-aminophenyl)(4-(2-chlorophenyl)-4-hydroxypiperidin-1-yl)methanone → N-(4-(4-(2-chlorophenyl)-4-hydroxypiperidine-1-carbonyl)phenyl)benzo[d]thiazole-4-sulfonamide

Guidance literature:

With pyridine; In tetrahydrofuran; for 6h; Reflux;

upstream raw materials:

1,3-Benzothiazole

Downstream raw materials:

benzothiazole-4-sulfonic acid [5-bromo-2-(piperidine-1-carbonyl)-phenyl]-amide

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