1-Chloro-4-(methylsulfanyl)butane

Base Information

• Chemical Name: 1-Chloro-4-(methylsulfanyl)butane
• CAS No.: 27160-24-3
• Molecular Formula: C5H11ClS
• Molecular Weight: 138.661
• DSSTox Substance ID: DTXSID30518729
• Nikkaji Number: J3.027.627B
• Wikidata: Q82381532
• Mol file: 27160-24-3.mol

Synonyms:1-CHLORO-4-(METHYLSULFANYL)BUTANE;27160-24-3;SCHEMBL6446333;DTXSID30518729;AKOS011018489;EN300-673899

Chemical Property of 1-Chloro-4-(methylsulfanyl)butane

Chemical Property:

• PSA: 25.30000
• LogP: 2.36840
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 138.0269992
• Heavy Atom Count: 7
• Complexity: 31.3

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CSCCCCCl

Technology Process of 1-Chloro-4-(methylsulfanyl)butane

There total 1 articles about 1-Chloro-4-(methylsulfanyl)butane 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%

methylthiol (74-93-1) + 1,4-dichlorobutane (110-56-5) → methyl 4-(methylsulfanyl)butyl sulfide (15394-33-9) + ω-chloro-1-methylsulfanylbutane (27160-24-3)

Guidance literature:

With sodium ethanolate; In ethanol; for 12h; Yield given; Ambient temperature;

DOI:10.1055/s-1987-28097

Reference yield: 70.0%

ω-chloro-1-methylsulfanylbutane (27160-24-3) → 1-Chloro-4-methanesulfinyl-butane (53394-81-3)

Guidance literature:

With 2,6-di-tert-butyl-pyridine; tert-butylammonium hexafluorophosphate(V); In water; acetonitrile; for 12h; electrolysis at controlled potential;

Reference yield: 23.0%

ω-chloro-1-methylsulfanylbutane (27160-24-3) + 1-chloro-1-(4-(methylthio)phenyl)silacyclobutane (1583294-85-2) → 1-(4-(methylthio)butyl)-1-(4-(methylthio)phenyl)silacyclobutane (1494347-94-2)

Guidance literature:

ω-chloro-1-methylsulfanylbutane; With cis+trans-dibromoethylene; magnesium; In tetrahydrofuran; at 65 ℃; for 4h; Inert atmosphere; Schlenk technique;

1-chloro-1-(4-(methylthio)phenyl)silacyclobutane; In tetrahydrofuran; at 20 ℃; Schlenk technique;

DOI:10.1021/ja410656a

upstream raw materials:

methylthiol

1,4-dichlorobutane

Downstream raw materials:

1-Chloro-4-methanesulfinyl-butane

S-methyl tetrahydro thiophenium iodide

1-(4-(methylthio)butyl)-1-(4-(methylthio)phenyl)silacyclobutane

erysolin