Benzene, 1-[(butylsulfinyl)methyl]-4-(chloromethyl)-

Base Information

• Chemical Name: Benzene, 1-[(butylsulfinyl)methyl]-4-(chloromethyl)-
• CAS No.: 145817-08-9
• Molecular Formula: C12H17ClOS
• Molecular Weight: 244.785
• DSSTox Substance ID: DTXSID50445447
• Nikkaji Number: J643.871G
• Mol file: 145817-08-9.mol

Synonyms:Benzene, 1-[(butylsulfinyl)methyl]-4-(chloromethyl)-;145817-08-9;SCHEMBL5690323;DTXSID50445447;4-(Chloromethyl)benzylbutyl sulfoxide

Chemical Property of Benzene, 1-[(butylsulfinyl)methyl]-4-(chloromethyl)-

Chemical Property:

• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 244.0688640
• Heavy Atom Count: 15
• Complexity: 188

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCS(=O)CC1=CC=C(C=C1)CCl

Technology Process of Benzene, 1-[(butylsulfinyl)methyl]-4-(chloromethyl)-

There total 2 articles about Benzene, 1-[(butylsulfinyl)methyl]-4-(chloromethyl)- 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: 38.0%

n-butanethiol (109-79-5) + p-Xylylene dichloride (623-25-6) → 1-(chloromethyl)-4-<(n-butylsulfinyl)methyl>benzene (145817-08-9) + 1,4-bis[(butylsulfinyl)methyl]benzene (177752-89-5)

Guidance literature:

n-butanethiol; p-Xylylene dichloride; With sodium hydroxide; Aliquat 336; In water; toluene; at 20 ℃; for 1h;

With tellurium oxide; dihydrogen peroxide; In methanol; water; at 20 ℃;

DOI:10.1021/jo990111k

Reference yield:

n-butanethiol (109-79-5) + p-Xylylene dichloride (623-25-6) → 1-(chloromethyl)-4-<(n-butylsulfinyl)methyl>benzene (145817-08-9)

Guidance literature:

With tellurium oxide; sodium hydroxide; dihydrogen peroxide; Aliquat 336; Yield given; Multistep reaction; 1.) TolH, rt, 24 h, 2.) MeOH, H₂O, rt, 6 h;

DOI:10.1021/jo9821022

Reference yield:

1-(chloromethyl)-4-<(n-butylsulfinyl)methyl>benzene (145817-08-9) → 1-(butane-1-sulfonylmethyl)-4-chloromethyl-benzene (145817-12-5)

Guidance literature:

With sodium hydrogencarbonate; 3-chloro-benzenecarboperoxoic acid; In dichloromethane; at 0 - 20 ℃; for 3h;

DOI:10.1002/(sici)1097-458x(200002)38:2<129::aid-mrc602>3.0.co;2-k

upstream raw materials:

n-butanethiol

p-Xylylene dichloride

Downstream raw materials:

1-(butane-1-sulfonylmethyl)-4-chloromethyl-benzene