4-(3-Cyanophenyl)-cyclohexane-1-one

Base Information

Chemical Name:4-(3-Cyanophenyl)-cyclohexane-1-one
CAS No.:540787-60-8
Molecular Formula:C13H13NO
Molecular Weight:199.252
Hs Code.:
DSSTox Substance ID:DTXSID40466868
Wikidata:Q82293523

Synonyms:4-(3-cyanophenyl)-cyclohexane-1-one;540787-60-8;SCHEMBL4674179;DTXSID40466868;URIDONFNWGXDHR-UHFFFAOYSA-N;AKOS006290839

Suppliers and Price of 4-(3-Cyanophenyl)-cyclohexane-1-one

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 4-(3-Cyanophenyl)-cyclohexane-1-one

Chemical Property:

XLogP3:1.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:199.099714038
Heavy Atom Count:15
Complexity:278

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CC(=O)CCC1C2=CC=CC(=C2)C#N

Technology Process of 4-(3-Cyanophenyl)-cyclohexane-1-one

There total 6 articles about 4-(3-Cyanophenyl)-cyclohexane-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:

: 540787-58-4
3-(4-hydroxy-cyclohexyl)-benzonitrile

: 540787-60-8
4-(3-cyanophenyl)-cyclohexan-1-one

Guidance literature:: With Dess-Martin periodane; In dichloromethane; for 5h;
DOI:10.1021/jm049035q

Reference yield:

: 540787-52-8
4-(3-cyanophenyl)-4-hydroxycyclohexan-1-one ethylene ketal

: 540787-60-8
4-(3-cyanophenyl)-cyclohexan-1-one

Guidance literature:: Multi-step reaction with 2 steps

1.1: trifluoroacetic acid / 4 h / 50 °C

1.2: hydrogen / Pt on carbon / ethyl acetate / 2327.17 Torr

2.1: Dess-Martin periodinane; pyridine / CH₂Cl₂ / 5 h / 20 °C

With pyridine; Dess-Martin periodane; trifluoroacetic acid; In dichloromethane;
DOI:10.1016/j.bmc.2005.12.046

Reference yield:

: 4746-97-8
cyclohexanedione monoethylene ketal

: 540787-60-8
4-(3-cyanophenyl)-cyclohexan-1-one

Guidance literature:: Multi-step reaction with 3 steps

1.1: n-BuLi / tetrahydrofuran; hexane / 0.17 h / -95 °C

1.2: 82 percent / tetrahydrofuran; hexane / 0.5 h / -75 - -25 °C

2.1: TFA / 4 h / 50 °C

2.2: H₂ / Pd/C / ethyl acetate / 2327.17 Torr

3.1: 1.1 g / Dess-Martin periodinane / CH₂Cl₂ / 5 h

With n-butyllithium; Dess-Martin periodane; trifluoroacetic acid; In tetrahydrofuran; hexane; dichloromethane;
DOI:10.1021/jm049035q