1-(Chloromethyl)-2-isothiocyanatocyclohex-1-ene

Base Information

Chemical Name:1-(Chloromethyl)-2-isothiocyanatocyclohex-1-ene
CAS No.:89996-63-4
Molecular Formula:C₈H₁₀ClNS
Molecular Weight:187.693
Hs Code.:
DSSTox Substance ID:DTXSID10505056

Synonyms:89996-63-4;1-(Chloromethyl)-2-isothiocyanatocyclohex-1-ene;DTXSID10505056

Suppliers and Price of 1-(Chloromethyl)-2-isothiocyanatocyclohex-1-ene

Supply Marketing:

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

Manufacturers and distributors:

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Total 0 raw suppliers

Chemical Property of 1-(Chloromethyl)-2-isothiocyanatocyclohex-1-ene

Chemical Property:

XLogP3:3.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:187.0222482
Heavy Atom Count:11
Complexity:216

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CCC(=C(C1)CCl)N=C=S

Technology Process of 1-(Chloromethyl)-2-isothiocyanatocyclohex-1-ene

There total 3 articles about 1-(Chloromethyl)-2-isothiocyanatocyclohex-1-ene 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: 55.0%

: 333-20-0
potassium thioacyanate

: 76854-99-4
1-Chlor-2-chlormethyl-cyclohexen

: 89996-63-4
2-Chlormethyl-1-isothiocyanatocyclohexen

Guidance literature:: In dimethyl sulfoxide; for 3h; Ambient temperature;

Reference yield:

: 76539-22-5
(2-chloro-1-cyclohexen-1-yl)methanol

: 89996-63-4
2-Chlormethyl-1-isothiocyanatocyclohexen

Guidance literature:: Multi-step reaction with 2 steps

1: (Ph)3P, CCl₄ / 48 h / Ambient temperature

2: 55 percent / dimethylsulfoxide / 3 h / Ambient temperature

With tetrachloromethane; triphenylphosphine; In dimethyl sulfoxide;

Reference yield:

: 1680-73-5
2-chlorocyclohexene-1-carboxaldehyde

: 89996-63-4
2-Chlormethyl-1-isothiocyanatocyclohexen

Guidance literature:: Multi-step reaction with 3 steps

1: LiAlH₄ / diethyl ether

2: (Ph)3P, CCl₄ / 48 h / Ambient temperature

3: 55 percent / dimethylsulfoxide / 3 h / Ambient temperature

With tetrachloromethane; lithium aluminium tetrahydride; triphenylphosphine; In diethyl ether; dimethyl sulfoxide;