1,3-Dithiane, 2-(2-chlorophenyl)-

Base Information

• Chemical Name: 1,3-Dithiane, 2-(2-chlorophenyl)-
• CAS No.: 69849-09-8
• Molecular Formula: C10H11ClS2
• Molecular Weight: 230.782
• DSSTox Substance ID: DTXSID40459836
• Nikkaji Number: J1.716.132F
• Wikidata: Q82283694
• Mol file: 69849-09-8.mol

Synonyms:69849-09-8;1,3-Dithiane, 2-(2-chlorophenyl)-;DTXSID40459836;AKOS024438849

Chemical Property of 1,3-Dithiane, 2-(2-chlorophenyl)-

Chemical Property:

• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 229.9990704
• Heavy Atom Count: 13
• Complexity: 157

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CSC(SC1)C2=CC=CC=C2Cl

Technology Process of 1,3-Dithiane, 2-(2-chlorophenyl)-

There total 8 articles about 1,3-Dithiane, 2-(2-chlorophenyl)- 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: 100.0%

1.3-propanedithiol (109-80-8) + 2-chloro-benzaldehyde (89-98-5) → 2-(2-chlorophenyl)-1,3-dithiane (69849-09-8)

Guidance literature:

With Lewis acid;

DOI:10.1039/c5ob02172c

Reference yield: 94.0%

1.3-propanedithiol (109-80-8) + 2-(2-chlorophenyl)-1,3-dioxane (5406-38-2) → 2-(2-chlorophenyl)-1,3-dithiane (69849-09-8)

Guidance literature:

phosphotungstic acid; In Petroleum ether; for 0.833333h; Heating;

DOI:10.1055/s-2002-19300

Reference yield: 93.0%

2-(2-(1,3-dithian-2-yl)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane → 2-(2-chlorophenyl)-1,3-dithiane (69849-09-8)

Guidance literature:

With copper dichloride; In methanol; water; at 80 ℃; for 4h; Schlenk technique;

DOI:10.1021/acs.orglett.7b03008

upstream raw materials:

1.3-propanedithiol

2-(2-chlorophenyl)-1,3-dioxane

2-chloro-benzaldehyde

3,9-di(o-chlorophenyl)-2,4,8,10-tetraoxaspiro[5.5]undecane

Downstream raw materials:

2-chloro-benzaldehyde