4-Isobutylbenzenesulfonyl chloride

Base Information

• Chemical Name: 4-Isobutylbenzenesulfonyl chloride
• CAS No.: 339370-45-5
• Molecular Formula: C10H13 Cl O2 S
• Molecular Weight: 232.731
• Hs Code.: 2904909090
• European Community (EC) Number: 675-164-5
• DSSTox Substance ID: DTXSID20561840
• Nikkaji Number: J2.016.378J
• Wikidata: Q82445730
• Mol file: 339370-45-5.mol

Synonyms:4-isobutylbenzenesulfonyl chloride;339370-45-5;4-(2-methylpropyl)benzenesulfonyl chloride;4-Isobutyl-benzenesulfonyl chloride;4-Isobutylbenzene-1-sulfonyl chloride;4-(2-methylpropyl)benzene-1-sulfonyl chloride;MFCD04969631;SCHEMBL1546732;DTXSID20561840;p-isobutyl-benzenesulfonyl chloride;AKOS000145495;FS-5939;SY080017;CS-0216192;4-Isobutylbenzenesulfonyl chloride, AldrichCPR;EN300-36130;G32632;A875141;Benzenesulfonyl chloride,4-(2-methylpropyl)-(9ci);Z278204616

Chemical Property of 4-Isobutylbenzenesulfonyl chloride

Chemical Property:

• PSA: 42.52000
• LogP: 3.89340
• Storage Temp.: 2-8°C
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 232.0324785
• Heavy Atom Count: 14
• Complexity: 258

Purity/Quality:

97% ^*data from raw suppliers

4-Isobutyl-benzenesulfonylchloride 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CC1=CC=C(C=C1)S(=O)(=O)Cl

Technology Process of 4-Isobutylbenzenesulfonyl chloride

There total 1 articles about 4-Isobutylbenzenesulfonyl 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: 81.26%

1-phenyl-2-methylpropane (538-93-2) → 4-isobutylphenylsulfonyl chloride (339370-45-5)

Guidance literature:

With chlorosulfonic acid; at 0 - 5 ℃;

DOI:10.1007/s00044-017-1858-1

Reference yield:

4-isobutylphenylsulfonyl chloride (339370-45-5) → 4-isobutylbenzenesulfonamide (161767-97-1)

Guidance literature:

With ammonium hydroxide; at 40 ℃; for 0.5h; Yield given;

DOI:10.1006/bioo.1994.1032

Reference yield:

dispiro[pyrrolidine-3,1’-cyclobutane-3’,1”-[1,2]oxaborolo[4,3-d]pyrrolo[2,3-b]pyridin]-3”(6”H)-ol + 4-isobutylphenylsulfonyl chloride (339370-45-5) → 1-((4-isobutylphenyl)sulfonyl)dispiro[pyrrolidine-3,1‘-cyclobutane-3’,1“-[1,2]oxaborolo[4,3-d]pyrrolo[2,3-b]pyridin]-3”(6”H)-ol

Guidance literature:

With triethylamine; In tetrahydrofuran; at 0 - 20 ℃; for 0.5h;

upstream raw materials:

1-phenyl-2-methylpropane

Downstream raw materials:

4-isobutylbenzenesulfonamide

(R)-N-(1-(1-ethyl-6-(trifluoromethyl)-1H-benzo[d]imidazol-2-yl)ethyl)-4-isobutylbenzenesulfonamide

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