1,5-Diphenyl-3-trifluoromethyl-1H-pyrazole

Base Information

Chemical Name:1,5-Diphenyl-3-trifluoromethyl-1H-pyrazole
CAS No.:2730-02-1
Molecular Formula:C16H11 F3 N2
Molecular Weight:288.272
Hs Code.:2933199090
DSSTox Substance ID:DTXSID30439728
Nikkaji Number:J897.706B
Wikidata:Q82255773
Pharos Ligand ID:XZ3VRANTPLJC
ChEMBL ID:CHEMBL28662
Mol file:2730-02-1.mol

Synonyms:1,5-Diphenyl-3-trifluoromethyl-1H-pyrazole;2730-02-1;CHEMBL28662;1,5-DIPHENYL-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE;1,5-diphenyl-3-(trifluoromethyl)pyrazole;SCHEMBL6451398;DTXSID30439728;QSQASSUNYGTMLF-UHFFFAOYSA-N;BDBM50057570;AKOS015966994;C91104

Suppliers and Price of 1,5-Diphenyl-3-trifluoromethyl-1H-pyrazole

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

American Custom Chemicals Corporation
1,5-DIPHENYL-3-TRIFLUOROMETHYL-1H-PYRAZOLE 95.00%
5MG
$ 499.51

Total 7 raw suppliers

Chemical Property of 1,5-Diphenyl-3-trifluoromethyl-1H-pyrazole

Chemical Property:

Melting Point:57 °C
Boiling Point:383.5±42.0 °C(Predicted)
PKA:-3.34±0.10(Predicted)
PSA：17.82000
Density:1.23±0.1 g/cm3(Predicted)
LogP:4.55810
XLogP3:4.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:288.08743285
Heavy Atom Count:21
Complexity:333

Purity/Quality:

99% ^*data from raw suppliers

1,5-DIPHENYL-3-TRIFLUOROMETHYL-1H-PYRAZOLE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C=C1)C2=CC(=NN2C3=CC=CC=C3)C(F)(F)F

Technology Process of 1,5-Diphenyl-3-trifluoromethyl-1H-pyrazole

There total 39 articles about 1,5-Diphenyl-3-trifluoromethyl-1H-pyrazole 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: 99.0%

: 58518-08-4
1,1,1-trifluoro-4-phenylbut-3-yn-2-one

: 100-63-0
phenylhydrazine

: 2730-02-1
1,5-diphenyl-3-(trifluoromethyl)-1H-pyrazole

Guidance literature:: With silver trifluoromethanesulfonate; In chloroform; at 20 ℃; for 1h; Solvent; Temperature; Reagent/catalyst; regioselective reaction; Catalytic behavior; Kinetics; Mechanism; Sealed tube;
DOI:10.1002/ejoc.201800208

Reference yield: 98.0%

: 58518-08-4
1,1,1-trifluoro-4-phenylbut-3-yn-2-one

: 59-88-1
phenylhydrazine hydrochloride

: 2730-02-1
1,5-diphenyl-3-(trifluoromethyl)-1H-pyrazole

Guidance literature:: phenylhydrazine hydrochloride; With 1,8-diazabicyclo[5.4.0]undec-7-ene;

1,1,1-trifluoro-4-phenylbut-3-yn-2-one; for 24h; regioselective reaction;
DOI:10.1021/acs.joc.7b00774