1-[(2-Fluorophenyl)methyl]-5-[(3-oxo-1-cyclohexen-1-yl)amino]-1H-pyrazole-4-carbonitrile

Base Information

Chemical Name:1-[(2-Fluorophenyl)methyl]-5-[(3-oxo-1-cyclohexen-1-yl)amino]-1H-pyrazole-4-carbonitrile
CAS No.:137278-72-9
Molecular Formula:C₁₇H₁₅FN₄O
Molecular Weight:310.331
Hs Code.:
DSSTox Substance ID:DTXSID801123782

Synonyms:DTXSID801123782;1-[(2-Fluorophenyl)methyl]-5-[(3-oxo-1-cyclohexen-1-yl)amino]-1H-pyrazole-4-carbonitrile;137278-72-9

Suppliers and Price of 1-[(2-Fluorophenyl)methyl]-5-[(3-oxo-1-cyclohexen-1-yl)amino]-1H-pyrazole-4-carbonitrile

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 1-[(2-Fluorophenyl)methyl]-5-[(3-oxo-1-cyclohexen-1-yl)amino]-1H-pyrazole-4-carbonitrile

Chemical Property:

XLogP3:2.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:310.12298928
Heavy Atom Count:23
Complexity:526

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1CC(=CC(=O)C1)NC2=C(C=NN2CC3=CC=CC=C3F)C#N

Technology Process of 1-[(2-Fluorophenyl)methyl]-5-[(3-oxo-1-cyclohexen-1-yl)amino]-1H-pyrazole-4-carbonitrile

There total 2 articles about 1-[(2-Fluorophenyl)methyl]-5-[(3-oxo-1-cyclohexen-1-yl)amino]-1H-pyrazole-4-carbonitrile 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: 70.0%

: 504-02-9
1,3-cylohexanedione

: 137278-67-2
5-amino-1-(2-fluorobenzyl)pyrazole-4-carbonitrile

: 137278-72-9
4-Cyano-1-(2-fluorobenzyl)-5-<(3-oxo-1-cyclohexen-1-yl)amino>pyrazole

Guidance literature:: With toluene-4-sulfonic acid; In toluene; for 24h; Heating;

Reference yield:

: 51859-98-4
(2-fluorobenzyl)hydrazine

: 137278-72-9
4-Cyano-1-(2-fluorobenzyl)-5-<(3-oxo-1-cyclohexen-1-yl)amino>pyrazole

Guidance literature:: Multi-step reaction with 2 steps

1: 78 percent

2: 70 percent / p-TsOH*H₂O / toluene / 24 h / Heating

With toluene-4-sulfonic acid; In toluene;