1-[(1-Chloro-5-hexen-1-yl)sulfonyl]-4-methylbenzene

Base Information

• Chemical Name: 1-[(1-Chloro-5-hexen-1-yl)sulfonyl]-4-methylbenzene
• CAS No.: 130650-13-4
• Molecular Formula: C₁₃H₁₇ClO₂S
• Molecular Weight: 272.796
• DSSTox Substance ID: DTXSID901225642
• Nikkaji Number: J2.132.574K
• Mol file: 130650-13-4.mol

Synonyms:DTXSID901225642;130650-13-4;1-[(1-Chloro-5-hexen-1-yl)sulfonyl]-4-methylbenzene

Chemical Property of 1-[(1-Chloro-5-hexen-1-yl)sulfonyl]-4-methylbenzene

Chemical Property:

• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 272.0637786
• Heavy Atom Count: 17
• Complexity: 324

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 1-[(1-Chloro-5-hexen-1-yl)sulfonyl]-4-methylbenzene

There total 2 articles about 1-[(1-Chloro-5-hexen-1-yl)sulfonyl]-4-methylbenzene 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-bromohexene (13154-12-6,13154-13-7,57855-22-8) + chloromethyl p-tolylsulfone (7569-26-8) → 1-chlorohex-5-enyl 4-methylphenyl sulfone (130650-13-4)

Guidance literature:

DOI:10.1016/S0040-4039(00)97686-X

Reference yield:

chloromethyl p-tolylsulfone (7569-26-8) + bromopentene (1119-51-3) → 1-chlorohex-5-enyl 4-methylphenyl sulfone (130650-13-4)

Guidance literature:

PTC conditions;

DOI:10.1002/ejoc.200400034

Reference yield: 22.0%

1-chlorohex-5-enyl 4-methylphenyl sulfone (130650-13-4) → 7-Methyl-1,2,3,3a,9,9a-hexahydro-4-thia-cyclopenta[b]naphthalene 4,4-dioxide (130650-20-3,130650-23-6) + trans-2-methylcyclopentyl tosylate (80963-37-7,130650-22-5) + cis-2-methylcyclopentyl tosylate (80963-37-7,130650-22-5)

Guidance literature:

With 2,2'-azobis(isobutyronitrile); tri-n-butyl-tin hydride; In benzene; Yields of byproduct given; Heating;

DOI:10.1016/S0040-4039(00)97686-X

upstream raw materials:

1-bromohexene

chloromethyl p-tolylsulfone

bromopentene

Downstream raw materials:

7-Methyl-1,2,3,3a,9,9a-hexahydro-4-thia-cyclopenta[b]naphthalene 4,4-dioxide

trans-2-methylcyclopentyl tosylate

cis-2-methylcyclopentyl tosylate