2-Benzylidene-1,3-dithiolane

Base Information

• Chemical Name: 2-Benzylidene-1,3-dithiolane
• CAS No.: 26224-40-8
• Molecular Formula: C10H10S2
• Molecular Weight: 194.321
• DSSTox Substance ID: DTXSID70499745
• Nikkaji Number: J1.847.231G
• Mol file: 26224-40-8.mol

Synonyms:2-benzylidene-1,3-dithiolane;2-benzylidene-[1,3]dithiolane;26224-40-8;DTXSID70499745

Chemical Property of 2-Benzylidene-1,3-dithiolane

Chemical Property:

• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 194.02239267
• Heavy Atom Count: 12
• Complexity: 161

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CSC(=CC2=CC=CC=C2)S1

Technology Process of 2-Benzylidene-1,3-dithiolane

There total 7 articles about 2-Benzylidene-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: 98.0%

phenylketene ethylene acetal (4362-17-8) + ethane-1,2-dithiol (540-63-6) → 2-benzylidene-1,3-dithiolane (26224-40-8)

Guidance literature:

With 1,3,5-trichloro-2,4,6-triazine; In N,N-dimethyl-formamide; at 20 ℃; for 0.583333h;

DOI:10.1007/s00706-006-0559-0

Reference yield: 51.0%

7-(methoxycarbonyl)cycloheptatriene (32399-46-5) + ethane-1,2-dithiol (540-63-6) → 2-benzylidene-1,3-dithiolane (26224-40-8) + 8,8-(Ethylendithio)heptafulven (85375-04-8)

Guidance literature:

With trimethylaluminum; In hexane; 1,2-dichloro-ethane; at 50 ℃; for 1.5h; Yields of byproduct given;

Reference yield: 48.0%

C10H12S2(1+)*ClO4(1-) → 2-benzylidene-1,3-dithiolane (26224-40-8)

Guidance literature:

With triethylamine; In acetonitrile;

DOI:10.1246/bcsj.59.453

upstream raw materials:

benzaldehyde

7-(methoxycarbonyl)cycloheptatriene

ethane-1,2-dithiol

phenylketene ethylene acetal

Downstream raw materials:

4-[1,3]Dithiolan-2-ylidene-4-phenyl-butyric acid ethyl ester

2-((Z)-2-Methyl-1-phenyl-pent-3-enylidene)-[1,3]dithiolane

(1R,3R)-2-benzylidene[1,3]dithiolane-1,3-dioxide