1-(4-Methoxyphenyl)-5-methyl-3-(trifluoromethyl)-1H-pyrazole

Base Information

Chemical Name:1-(4-Methoxyphenyl)-5-methyl-3-(trifluoromethyl)-1H-pyrazole
CAS No.:218632-10-1
Molecular Formula:C12H11 F3 N2 O
Molecular Weight:256.22
Hs Code.:
DSSTox Substance ID:DTXSID70592588
Wikidata:Q82486771
Mol file:218632-10-1.mol

Synonyms:218632-10-1;1-(4-METHOXYPHENYL)-5-METHYL-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE;1H-Pyrazole,1-(4-methoxyphenyl)-5-methyl-3-(trifluoromethyl)-;SCHEMBL6172133;DTXSID70592588;1-(4-METHOXYPHENYL)-5-METHYL-3-(TRIFLUOROMETHYL)PYRAZOLE;AB44120;3-Trifluoromethyl-5-methyl-1-(4-methoxyphenyl)-1H-pyrazole

Suppliers and Price of 1-(4-Methoxyphenyl)-5-methyl-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-(4-METHOXYPHENYL)-5-METHYL-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE 95.00%
5MG
$ 504.00

Total 2 raw suppliers

Chemical Property of 1-(4-Methoxyphenyl)-5-methyl-3-(trifluoromethyl)-1H-pyrazole

Chemical Property:

PSA：27.05000
LogP:3.20810
XLogP3:3.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:256.08234746
Heavy Atom Count:18
Complexity:277

Purity/Quality:

98%min ^*data from raw suppliers

1-(4-METHOXYPHENYL)-5-METHYL-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:CC1=CC(=NN1C2=CC=C(C=C2)OC)C(F)(F)F

Technology Process of 1-(4-Methoxyphenyl)-5-methyl-3-(trifluoromethyl)-1H-pyrazole

There total 2 articles about 1-(4-Methoxyphenyl)-5-methyl-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: 84.0%

: 367-57-7
1,1,1-Trifluoro-2,4-pentanedione

: 19501-58-7
4-methoxyphenylhydrazine hydrochloride

: 218632-10-1
5-methyl-1-(4-methoxyphenyl)-3-trifluoromethyl-1H-pyrazole

: 515845-28-0
1-(4-methoxyphenyl)-3-methyl-5-trifluoromethylpyrazole

Guidance literature:: With acetic acid; In 2-methoxy-ethanol; for 18h; Heating;
DOI:10.1021/jm030212h

Reference yield:

: 367-57-7
1,1,1-Trifluoro-2,4-pentanedione

: 3471-32-7
4-Methoxyphenylhydrazine

: 218632-10-1
5-methyl-1-(4-methoxyphenyl)-3-trifluoromethyl-1H-pyrazole

: 515845-28-0
1-(4-methoxyphenyl)-3-methyl-5-trifluoromethylpyrazole

Guidance literature:: With sulfuric acid; In ethanol; at 25 ℃;
DOI:10.1002/kin.20316

Reference yield:

: 218632-10-1
5-methyl-1-(4-methoxyphenyl)-3-trifluoromethyl-1H-pyrazole

: 218631-47-1
5-hydroxymethyl-1-(4-methoxyphenyl)-3-trifluoromethyl-1H-pyrazole

Guidance literature:: Multi-step reaction with 3 steps

1: N-bromosuccinimide; benzoyl peroxide / CCl₄ / 18 h / Heating; irradiation

2: 18-crown-6 / acetonitrile / 18 h / 20 °C

3: 16.43 g / IR₄₀₀(OH^-) resin / methanol / 3 h / 20 °C

With N-Bromosuccinimide; 18-crown-6 ether; IR₄₀₀(OH^-) resin; dibenzoyl peroxide; In methanol; tetrachloromethane; acetonitrile;
DOI:10.1021/jm030212h