1,4-Benzodithiin

Base Information

• Chemical Name: 1,4-Benzodithiin
• CAS No.: 255-50-5
• Molecular Formula: C₈H₆S₂
• Molecular Weight: 166.268
• DSSTox Substance ID: DTXSID90481182
• Nikkaji Number: J149.359K,J3.158.898G
• Mol file: 255-50-5.mol

Synonyms:1,4-Benzodithiin;1,4-benzodithiine;[1,4]benzodithiine;255-50-5;SCHEMBL2937188;DTXSID90481182

Chemical Property of 1,4-Benzodithiin

Chemical Property:

• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 165.99109254
• Heavy Atom Count: 10
• Complexity: 126

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)SC=CS2

Technology Process of 1,4-Benzodithiin

There total 8 articles about 1,4-Benzodithiin 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: 77.0%

1,2-bis(prop-1-en-1-ylthio)benzene (1204588-99-7) → benzodithiine (255-50-5)

Guidance literature:

With tricyclohexylphosphine[1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-2-ylidine][benzylidene]ruthenium(II) dichloride; In dichloromethane; for 18h; Reflux;

DOI:10.1016/j.tet.2009.10.061

Reference yield: 70.0%

cis-1,2-Dichloroethylene (156-59-2,43695-79-0) + sale sodico del benzen-1,2-ditiolo (85616-77-9,112424-16-5) → benzodithiine (255-50-5)

Guidance literature:

DOI:10.1016/0957-4166(96)00008-0

Reference yield:

→ benzodithiine (255-50-5)

Guidance literature:

With aluminum oxide; at 250 ℃;

DOI:10.1021/ja01633a041

upstream raw materials:

2,3-dihydro-1,4-benzodithiine

o-xylene

chloranil

cis-1,2-Dichloroethylene

Downstream raw materials:

1-butylsulfanyl-2-methylsulfanyl-benzene

C₂₆H₂₀O₄S₂

benzene-1,2-disulfonic acid

Refernces

• 1、 Morgans, Garreth L.,Ngidi, E. Lindani,Madeley, Lee G.,Khanye, Setshaba D.,Michael, Joseph P.,de Koning, Charles B.,van Otterlo, Willem A.L.. "Synthesis of unsaturated 1,4-heteroatom-containing benzo-fused heterocycles using a sequential isomerization-ring-closing metathesis strategy". experimental part. p. 10650 - 10659. Retrieved 2010/01/16.