5H-1,4-Dithiepin, 2-(4-chlorophenyl)-6,7-dihydro-

Base Information

Chemical Name:5H-1,4-Dithiepin, 2-(4-chlorophenyl)-6,7-dihydro-
CAS No.:861838-89-3
Molecular Formula:C11H11ClS2
Molecular Weight:242.793
Hs Code.:
DSSTox Substance ID:DTXSID80465133
Nikkaji Number:J2.231.175A

Synonyms:861838-89-3;5H-1,4-Dithiepin, 2-(4-chlorophenyl)-6,7-dihydro-;DTXSID80465133

Suppliers and Price of 5H-1,4-Dithiepin, 2-(4-chlorophenyl)-6,7-dihydro-

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 0 raw suppliers

Chemical Property of 5H-1,4-Dithiepin, 2-(4-chlorophenyl)-6,7-dihydro-

Chemical Property:

XLogP3:3.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:241.9990704
Heavy Atom Count:14
Complexity:207

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1CSC=C(SC1)C2=CC=C(C=C2)Cl

Technology Process of 5H-1,4-Dithiepin, 2-(4-chlorophenyl)-6,7-dihydro-

There total 3 articles about 5H-1,4-Dithiepin, 2-(4-chlorophenyl)-6,7-dihydro- 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: 87.0%

: 10359-10-1
2-(4-chlorophenyl)-2-methyl-1,3-dithiane

: 861838-89-3
2-(4-chlorophenyl)-6,7-dihydro-5H-1,4-dithiepine

Guidance literature:: With tert-butylhypochlorite; In tetrachloromethane; at 20 ℃; for 0.166667h;
DOI:10.1055/s-2005-921906

Reference yield: 54.8%

: 536-38-9
4-chlorobenzoylmethyl bromide

: 682360-46-9
2-(1,3-dithian-2-ylidene)-3-oxobutanoic acid

: 861838-89-3
2-(4-chlorophenyl)-6,7-dihydro-5H-1,4-dithiepine

Guidance literature:: With acetyl chloride; In methanol; for 5h; Heating;
DOI:10.1016/j.tetlet.2005.08.128

Reference yield:

: 99-91-2
para-chloroacetophenone

: 861838-89-3
2-(4-chlorophenyl)-6,7-dihydro-5H-1,4-dithiepine

Guidance literature:: Multi-step reaction with 2 steps

1.1: BF₃*Et₂O / CH₂Cl₂ / 4 h / 20 °C

2.1: NBS / CHCl₃ / 0.33 h / 20 °C

2.2: 1,8-dimethylamino naphthalene / CHCl₃ / 0.17 h

With N-Bromosuccinimide; boron trifluoride diethyl etherate; In dichloromethane; chloroform; 1.1: Condensation / 2.1: Bromination / 2.2: Dehydrobromination;
DOI:10.1016/S0968-0896(00)00062-6