3-(4-methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazole

Base Information

• Chemical Name: 3-(4-methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazole
• CAS No.: 380905-15-7
• Molecular Formula: C11H9F3N2O
• Molecular Weight: 242.2
• Hs Code.: 2933199090
• European Community (EC) Number: 646-563-1
• Nikkaji Number: J3.497.355E
• Mol file: 380905-15-7.mol

Synonyms:380905-15-7;3-(4-methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazole;5-(4-Methoxyphenyl)-3-(trifluoromethyl)-1H-pyrazole;3-(trifluoromethyl)-5-(4-methoxyphenyl)-1h-pyrazole;5-(TRIFLUOROMETHYL)-3-(4-METHOXYPHENYL)-1H-PYRAZOLE;MFCD04039275;5(3)-(4-Methoxyphenyl)-3(5)-(trifluoromethyl)pyrazole;5-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazole;SCHEMBL13024370;KWCYTQAQZKWCNE-UHFFFAOYSA-N;STK806361;AKOS000271279;AKOS000558208;AT19472;PS-6637;CS-0080471;EU-0010881;D74188;SR-01000487882;5-(4-Methoxy-phenyl)-3-trifluoromethyl-1H-pyrazole;5-(4-methoxyphenyl)-3-trifluoromethyl-1h-pyrazole;SR-01000487882-1

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

Chemical Property:

• PSA: 37.91000
• LogP: 3.10410
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 242.06669740
• Heavy Atom Count: 17
• Complexity: 252

Purity/Quality:

98%min ^*data from raw suppliers

3-(Trifluoromethyl)-5-(4-methoxyphenyl)-1H-pyrazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)C2=NNC(=C2)C(F)(F)F

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

There total 14 articles about 3-(4-methoxyphenyl)-5-(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: 93.0%

2-bromo-3,3,3-trifluoropropene (1514-82-5) + 4-methoxy-benzaldehyde (123-11-5) → 5-(4-methoxyphenyl)-3-(trifluoridomethyl)-1H-pyrazole (380905-15-7)

Guidance literature:

With 1,8-diazabicyclo[5.4.0]undec-7-ene; toluene-4-sulfonic acid hydrazide; In toluene; at 60 ℃; for 6h; regioselective reaction;

DOI:10.1021/acs.orglett.9b04228

Reference yield: 93.0%

2,2,2-trifluorodiazoethane (371-67-5) + 4-methoxyphenylacetylen (768-60-5) → 5-(4-methoxyphenyl)-3-(trifluoridomethyl)-1H-pyrazole (380905-15-7)

Guidance literature:

With 1,8-diazabicyclo[5.4.0]undec-7-ene; In 1,4-dioxane; toluene; at 80 ℃; for 12h; Time;

Reference yield: 90.0%

(E)-4-(4-methoxyphenyl)-1,1,1-trifluorobut-3-en-2-one (96107-02-7) → 5-(4-methoxyphenyl)-3-(trifluoridomethyl)-1H-pyrazole (380905-15-7)

Guidance literature:

With sodium acetate; toluene-4-sulfonic acid hydrazide; In ethanol; at 80 ℃; for 12h; regioselective reaction; Schlenk technique;

DOI:10.1016/j.tet.2015.09.007

upstream raw materials:

(3-methyl-quinoxalin-2-yl)-hydrazine

4,4,4-trifluoro-1-(4-methoxyphenyl)-1,3-butanedione

4-methoxyphenylacetylen

4-methoxy-benzaldehyde

Downstream raw materials:

5-(4-methoxyphenyl)-1H-pyrazole-3-carbonitrile

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