4-Cyclopentylbenzenesulfonyl chloride

Base Information

• Chemical Name: 4-Cyclopentylbenzenesulfonyl chloride
• CAS No.: 54997-94-3
• Molecular Formula: C₁₁H₁₃ClO₂S
• Molecular Weight: 244.742
• DSSTox Substance ID: DTXSID80561841
• Wikidata: Q82445732
• Mol file: 54997-94-3.mol

Synonyms:4-cyclopentylbenzenesulfonyl chloride;54997-94-3;4-Cyclopentylbenzene-1-sulfonyl chloride;SCHEMBL469037;DTXSID80561841;MFCD19200575;AKOS006336577;4-Cyclopentylbenzene-1-sulfonylchloride;LS-09229

Chemical Property of 4-Cyclopentylbenzenesulfonyl chloride

Chemical Property:

• PSA: 42.52000
• LogP: 4.35250
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 244.0324785
• Heavy Atom Count: 15
• Complexity: 293

Purity/Quality:

4-Cyclopentylbenzenesulfonyl chloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(C1)C2=CC=C(C=C2)S(=O)(=O)Cl

Technology Process of 4-Cyclopentylbenzenesulfonyl chloride

There total 1 articles about 4-Cyclopentylbenzenesulfonyl 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:

cyclopentylbenzene (700-88-9) → 4-Cyclopentylbenzolsulfonylchlorid (54997-94-3)

Guidance literature:

With chlorosulfonic acid; In chloroform;

DOI:10.1135/cccc19740783

Reference yield:

4-Cyclopentylbenzolsulfonylchlorid (54997-94-3) → 4-Cyclopentylthiophenol (54997-85-2)

Guidance literature:

With lithium aluminium tetrahydride; In diethyl ether; Heating;

DOI:10.1135/cccc19740783

Reference yield:

4-Cyclopentylbenzolsulfonylchlorid (54997-94-3) → [2-(4-Cyclopentyl-phenylsulfanyl)-phenyl]-methanol (51013-63-9)

Guidance literature:

Multi-step reaction with 3 steps

1: LiAlH₄ / diethyl ether / Heating

2: (i) aq. KOH, (ii) /BRN= 1861406/, Cu

3: Na2(OCH₂CH₂OMe)2> / benzene / Ambient temperature

With lithium aluminium tetrahydride; sodium bis(2-methoxyethoxy)aluminium dihydride; In diethyl ether; benzene;

DOI:10.1135/cccc19740783

upstream raw materials:

cyclopentylbenzene

Downstream raw materials:

<4-Sulfamoyl-phenyl>-cyclopentan

4-Cyclopentylthiophenol

[2-(4-Cyclopentyl-phenylsulfanyl)-phenyl]-methanol

2-(4-Cyclopentylphenylthio)-benzylchlorid

Refernces