2-Benzothiazolesulfonyl chloride

Base Information

• Chemical Name: 2-Benzothiazolesulfonyl chloride
• CAS No.: 2824-46-6
• Molecular Formula: C7H4ClNO2S2
• Molecular Weight: 233.699
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID00430803
• Nikkaji Number: J792.933A
• Wikidata: Q82244517
• Mol file: 2824-46-6.mol

Synonyms:2824-46-6;2-Benzothiazolesulfonyl chloride;benzo[d]thiazole-2-sulfonyl chloride;1,3-BENZOTHIAZOLE-2-SULFONYL CHLORIDE;Benzothiazole-2-sulfonyl Chloride;SCHEMBL75415;DTXSID00430803;HSILAFDVJZUQPI-UHFFFAOYSA-N;benzo[d]thiazole-2-sulfonylchloride;AKOS015958821;Benzothiazole-2-sulfonic acid chloride;AM100619;EN300-152148;A902424

Chemical Property of 2-Benzothiazolesulfonyl chloride

Chemical Property:

• Melting Point: 140.8℃
• Boiling Point: 398.39 °C at 760 mmHg
• PKA: -4.34±0.10(Predicted)
• Flash Point: 194.74 °C
• PSA: 83.65000
• Density: 1.635 g/cm³
• LogP: 3.30460
• XLogP3: 2.8
• 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-2-SULFONYL CHLORIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R34:Causes burns.
• Hazard Codes: C:Corrosive
• Statements: R34:Causes burns.
• Safety Statements: S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S36/37/39:Wear suitabl

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)N=C(S2)S(=O)(=O)Cl

Technology Process of 2-Benzothiazolesulfonyl chloride

There total 4 articles about 2-Benzothiazolesulfonyl 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: 97.0%

2-Mercaptobenzothiazole (149-30-4,118090-09-8) → benzothiazole-2-sulfonyl chloride (2824-46-6)

Guidance literature:

With chlorine; acetic acid;

Reference yield:

sodium 2-mercaptobenzothiazole (2492-26-4) → benzothiazole-2-sulfonyl chloride (2824-46-6)

Guidance literature:

With hydrogenchloride; sodium hypochlorite solution; In dichloromethane; water; at -10 - -5 ℃; for 0.333333h;

Reference yield:

2-thioxo-3H-1,3-benzothiazole (149-30-4,81605-65-4) → benzothiazole-2-sulfonyl chloride (2824-46-6)

Guidance literature:

With chlorine; acetic acid;

DOI:10.1021/ja01167a011

upstream raw materials:

2-thioxo-3H-1,3-benzothiazole

2-Mercaptobenzothiazole

sodium 2-mercaptobenzothiazole

Downstream raw materials:

benzothiazole-2-sulfonamide

benzothiazole-2-sulfonic acid phenylamide

C₁₉H₁₈N₂O₄S₂

Bts-(D)Phe(3F)-OBn

Refernces

• 1、 -. "HEMIASTERLIN DERIVATIVES FOR CONJUGATION AND THERAPY". Paragraph 00264. . Retrieved 2016/08/23.
• 2、 Bornholdt, Jan,Felding, Jakob,Clausen, Rasmus P.,Kristensen, Jesper L.. "Ring opening of pymisyl-protected aziridines with organocuprates". supporting information; experimental part. p. 12474 - 12480. Retrieved 2010/12/25.