3-tert-butylbenzenesulfonyl Chloride

Base Information

• Chemical Name: 3-tert-butylbenzenesulfonyl Chloride
• CAS No.: 2905-26-2
• Molecular Formula: C10H13ClO2S
• Molecular Weight: 232.731
• Hs Code.: 2904909090
• European Community (EC) Number: 918-344-3,640-807-0
• DSSTox Substance ID: DTXSID60373787
• Mol file: 2905-26-2.mol

Synonyms:2905-26-2;3-tert-butylbenzenesulfonyl Chloride;3-tert-Butyl benzenesulfonyl chloride;3-(tert-Butyl)benzene-1-sulfonyl chloride;3-tert-butylbenzene-1-sulfonyl chloride;MFCD03789234;3-(tert-Buty)benzenesulfonyl chloride;Benzenesulfonyl chloride, 3-(1,1-dimethylethyl)-;SCHEMBL2217011;DTXSID60373787;WZQSQOIYTVCFMP-UHFFFAOYSA-N;3-tert-butylphenylsulfonyl chloride;3-tert-butylphenylsulphonyl chloride;AMY16061;3-(Tert-butyl)phenylsulfonyl chloride;AKOS006223660;AS-33211;CS-0154910;FT-0648928;3-(1,1-dimethylethyl)benzenesulfonyl chloride;3-(1,1-dimethylethyl)-phenylsulfonyl chloride;EN300-1990313;3-tert-butyl benzenesulfonyl chloride, AldrichCPR;A819738;J-017373

Chemical Property of 3-tert-butylbenzenesulfonyl Chloride

Chemical Property:

• Vapor Pressure: 0.00183mmHg at 25°C
• Refractive Index: 1.523
• Boiling Point: 301.9 °C at 760 mmHg
• Flash Point: 136.4 °C
• PSA: 42.52000
• Density: 1.207 g/cm³
• LogP: 3.99240
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 232.0324785
• Heavy Atom Count: 14
• Complexity: 284

Purity/Quality:

98%min ^*data from raw suppliers

3-tert-Butylbenzenesulfonyl chloride 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-tert-butylbenzenesulfonyl Chloride

There total 2 articles about 3-tert-butylbenzenesulfonyl 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:

3-tert-butylaniline (5369-19-7) → 3-(tert-butyl)benzene-1-sulfonyl chloride (2905-26-2)

Guidance literature:

Multistep reaction; (i) NaNO₂, aq. HCl, (ii) SO₂, CuCl₂, KCl, benzene, dioxane;

Reference yield:

→ 3-(tert-butyl)benzene-1-sulfonyl chloride (2905-26-2)

Guidance literature:

3-Amino-tert.-butyl-benzol durch Diazotierung, s. Prinsen, Cerfontain, R. 84 <1965> 24;

Reference yield: 99.0%

3-amino-5-bromo-2-chloropyridine (588729-99-1) + 3-(tert-butyl)benzene-1-sulfonyl chloride (2905-26-2) → C15H16BrClN2O2S (1310049-08-1)

Guidance literature:

3-amino-5-bromo-2-chloropyridine; With lithium hexamethyldisilazane; In tetrahydrofuran; at -78 ℃; Inert atmosphere;

3-(tert-butyl)benzene-1-sulfonyl chloride; at -78 - 20 ℃; Inert atmosphere;

DOI:10.1021/jm1014605

upstream raw materials:

3-tert-butylaniline

Downstream raw materials:

C₁₅H₁₆BrClN₂O₂S

N-(6-(5-(3-tert-butylphenylsulfonamido)-6-chloropyridin-3-yl)benzo[d]thiazol-2-yl)acetamide

N-(2-iodo-4-(trifluoromethyl)-phenyl)-3-(1,1-dimethylethyl)-benzene-sulfonamide

1-[[3-(1,1-dimethylethyl)phenyl]sulphonyl]-5-(trifluoromethyl)-1H-indole-2-butanoic acid methyl ester