2-[(Phenylsulfanyl)methyl]cyclohex-2-en-1-one

Base Information

Chemical Name:2-[(Phenylsulfanyl)methyl]cyclohex-2-en-1-one
CAS No.:76047-55-7
Molecular Formula:C13H14OS
Molecular Weight:218.32
Hs Code.:
DSSTox Substance ID:DTXSID90503712
Wikidata:Q82357719

Synonyms:76047-55-7;2-[(Phenylsulfanyl)methyl]cyclohex-2-en-1-one;DTXSID90503712

Suppliers and Price of 2-[(Phenylsulfanyl)methyl]cyclohex-2-en-1-one

Supply Marketing:

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

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Chemical Property of 2-[(Phenylsulfanyl)methyl]cyclohex-2-en-1-one

Chemical Property:

XLogP3:2.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:218.07653624
Heavy Atom Count:15
Complexity:251

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1CC=C(C(=O)C1)CSC2=CC=CC=C2

Technology Process of 2-[(Phenylsulfanyl)methyl]cyclohex-2-en-1-one

There total 9 articles about 2-[(Phenylsulfanyl)methyl]cyclohex-2-en-1-one 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: 92.0%

: 930-69-8
sodium thiophenolate

: 125066-15-1
2-(phenylsulfonylmethyl)cyclohexenone

: 76047-55-7
2--2-cyclohexenone

Guidance literature:: In N,N-dimethyl-formamide; at 25 ℃; for 0.5h;
DOI:10.1016/S0040-4039(01)80414-7

Reference yield: 83.0%

: 930-69-8
sodium thiophenolate

: 113526-04-8
2-(nitromethyl)-cyclohex-1-ene-3-one

: 76047-55-7
2--2-cyclohexenone

Guidance literature:: In N,N-dimethyl-formamide; at 25 ℃; for 0.5h;
DOI:10.1016/S0040-4039(01)80414-7

Reference yield: 72.0%

: 108-98-5
thiophenol

: 106281-44-1
(6-oxocyclohex-1-en-1-yl)methyl acetate

: 76047-55-7
2--2-cyclohexenone

Guidance literature:: thiophenol; With sodium hydride; In tetrahydrofuran; at 0 - 20 ℃; for 0.5h;

(6-oxocyclohex-1-en-1-yl)methyl acetate; In tetrahydrofuran; at 0 - 20 ℃; for 1h; regioselective reaction;
DOI:10.1080/17415993.2013.809453