1-Isothiocyanato-cyclohexene

Base Information

Chemical Name:1-Isothiocyanato-cyclohexene
CAS No.:71055-61-3
Molecular Formula:C7H9NS
Molecular Weight:139.221
Hs Code.:
DSSTox Substance ID:DTXSID00500272

Synonyms:1-isothiocyanato-cyclohexene;71055-61-3;1-Cyclohexenyl isothiocyanate;1-Isothiocyanatocyclohex-1-ene;SCHEMBL6049831;DTXSID00500272

Suppliers and Price of 1-Isothiocyanato-cyclohexene

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 1 raw suppliers

Chemical Property of 1-Isothiocyanato-cyclohexene

Chemical Property:

XLogP3:3.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:139.04557046
Heavy Atom Count:9
Complexity:166

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:C1CCC(=CC1)N=C=S

Technology Process of 1-Isothiocyanato-cyclohexene

There total 2 articles about 1-Isothiocyanato-cyclohexene 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%

: 6544-02-1
silicon tetraisothiocyanate

: 108-94-1,11119-77-0,9003-41-2,9075-99-4
cyclohexanone

: 71055-61-3
1-cyclohexenyl isothiocyanate

Guidance literature:: bis(trimethylsilyl)sulphate; tributyltin fluoride; In tetrahydrofuran; at 25 ℃; for 1h; Product distribution; other catalyst investigated;
DOI:10.1016/S0040-4039(01)91233-X

Reference yield:

: 87656-40-4
trans-1-isothiocyanato-2-(phenylseleno)cyclohexane

: 2696-79-9
2-Cyclohexenyl-isothiocyanat

: 1666-13-3
diphenyl diselenide

: 71055-61-3
1-cyclohexenyl isothiocyanate

Guidance literature:: With ozone; Yield given. Multistep reaction. Yields of byproduct given; 1.) dichloromethane, -78 deg C, 0.5 h, 2.) carbon tetrachloride, reflux, 10 min;
DOI:10.1021/jo00174a018