1-(4,5-Dihydro-3-phenyl-1H-pyrazol-1-yl)cyclohexanecarbonitrile

Base Information

Chemical Name:1-(4,5-Dihydro-3-phenyl-1H-pyrazol-1-yl)cyclohexanecarbonitrile
CAS No.:898128-03-5
Molecular Formula:C₁₆H₁₉N₃
Molecular Weight:253.347
Hs Code.:
DSSTox Substance ID:DTXSID801174078

Synonyms:DTXSID801174078;1-(4,5-Dihydro-3-phenyl-1H-pyrazol-1-yl)cyclohexanecarbonitrile;898128-03-5

Suppliers and Price of 1-(4,5-Dihydro-3-phenyl-1H-pyrazol-1-yl)cyclohexanecarbonitrile

Supply Marketing:

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

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Chemical Property of 1-(4,5-Dihydro-3-phenyl-1H-pyrazol-1-yl)cyclohexanecarbonitrile

Chemical Property:

XLogP3:3.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:253.157897619
Heavy Atom Count:19
Complexity:392

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1CCC(CC1)(C#N)N2CCC(=N2)C3=CC=CC=C3

Technology Process of 1-(4,5-Dihydro-3-phenyl-1H-pyrazol-1-yl)cyclohexanecarbonitrile

There total 3 articles about 1-(4,5-Dihydro-3-phenyl-1H-pyrazol-1-yl)cyclohexanecarbonitrile 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: 81.0%

: 1-cyclohexylidene-3-phenyl-4,5-dihydro-1H-pyrazolium tetrafluoroborate

: 151-50-8
potassium cyanide

: 898128-03-5
1-(3-phenyl-4,5-dihydro-pyrazol-1-yl)-cyclohexanecarbonitrile

Guidance literature:: In diethyl ether; water;
DOI:10.1007/s10593-005-0317-y

Reference yield:

: 936-48-1
3-phenyl-4,5-dihydro-1H-pyrazole

: 898128-03-5
1-(3-phenyl-4,5-dihydro-pyrazol-1-yl)-cyclohexanecarbonitrile

Guidance literature:: Multi-step reaction with 2 steps

1: HBF₄ / CH₂Cl₂

2: 81 percent / diethyl ether; H₂O

With tetrafluoroboric acid; In diethyl ether; dichloromethane; water;
DOI:10.1007/s10593-005-0317-y

Reference yield:

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

: 898128-03-5
1-(3-phenyl-4,5-dihydro-pyrazol-1-yl)-cyclohexanecarbonitrile

Guidance literature:: Multi-step reaction with 2 steps

1: HBF₄ / CH₂Cl₂

2: 81 percent / diethyl ether; H₂O

With tetrafluoroboric acid; In diethyl ether; dichloromethane; water;
DOI:10.1007/s10593-005-0317-y