4-(Chloromethyl)-2-phenyl-1,3-dithiolane

Base Information

• Chemical Name: 4-(Chloromethyl)-2-phenyl-1,3-dithiolane
• CAS No.: 41159-21-1
• Molecular Formula: C10H11ClS2
• Molecular Weight: 230.7773
• DSSTox Substance ID: DTXSID80961468
• Nikkaji Number: J91.143G

Synonyms:4-(Chloromethyl)-2-phenyl-1,3-dithiolane;41159-21-1;1,3-DITHIOLANE, 4-(CHLOROMETHYL)-2-PHENYL-;DTXSID80961468;LS-63240

Chemical Property of 4-(Chloromethyl)-2-phenyl-1,3-dithiolane

Chemical Property:

• Vapor Pressure: 3.23E-05mmHg at 25°C
• Boiling Point: 365.8°Cat760mmHg
• Flash Point: 164°C
• Density: 1.252g/cm³
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 229.9990704
• Heavy Atom Count: 13
• Complexity: 157

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(SC(S1)C2=CC=CC=C2)CCl

Technology Process of 4-(Chloromethyl)-2-phenyl-1,3-dithiolane

There total 4 articles about 4-(Chloromethyl)-2-phenyl-1,3-dithiolane 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:

2-phenyl-1,3-dithiolan-4-ylmethanol (5694-48-4) → 2-Phenyl-4-chlormethyl-dithiolan (41159-21-1)

Guidance literature:

With thionyl chloride; benzene;

DOI:10.1039/jr9470000592

Reference yield:

2-phenyl-1,3-dithiolan-4-ylmethanol (5694-48-4) + methanesulfonyl chloride (124-63-0) → 2-Phenyl-4-chlormethyl-dithiolan (41159-21-1)

Guidance literature:

With pyridine;

DOI:10.1039/jr9500002938

Reference yield:

3-chloro-propane-1,2-dithiol (54788-21-5) + benzaldehyde (100-52-7) → 2-Phenyl-4-chlormethyl-dithiolan (41159-21-1)

Guidance literature:

upstream raw materials:

2-phenyl-1,3-dithiolan-4-ylmethanol

methanesulfonyl chloride

3-chloro-propane-1,2-dithiol

benzaldehyde

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