3-[4-(TRIFLUOROMETHYL)PHENYL]-1H-PYRAZOLE-5-CARBOXYLIC ACID ETHYL ESTER

Base Information

• Chemical Name: 3-[4-(TRIFLUOROMETHYL)PHENYL]-1H-PYRAZOLE-5-CARBOXYLIC ACID ETHYL ESTER
• CAS No.: 639784-60-4
• Molecular Formula: C13H11 F3 N2 O2
• Molecular Weight: 284.238
• Hs Code.: 2933199090
• Mol file: 639784-60-4.mol

Synonyms:Ethyl5-(4-Trifluoromethylphenyl)-1H-pyrazole-3-carboxylate

Chemical Property of 3-[4-(TRIFLUOROMETHYL)PHENYL]-1H-PYRAZOLE-5-CARBOXYLIC ACID ETHYL ESTER

Chemical Property:

• Boiling Point: 411.3±45.0 °C(Predicted)
• PKA: 9.52±0.10(Predicted)
• PSA: 54.98000
• Density: 1.327±0.06 g/cm3(Predicted)
• LogP: 3.27220

Purity/Quality:

97% ^*data from raw suppliers

Ethyl3-(4-(trifluoromethyl)phenyl)-1H-pyrazole-5-carboxylate 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 3-[4-(TRIFLUOROMETHYL)PHENYL]-1H-PYRAZOLE-5-CARBOXYLIC ACID ETHYL ESTER

There total 4 articles about 3-[4-(TRIFLUOROMETHYL)PHENYL]-1H-PYRAZOLE-5-CARBOXYLIC ACID ETHYL ESTER 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: 55.78%

1-(4-trifluoromethylphenyl)ethanone (709-63-7) → 3-(4-trifluoromethylphenyl)-1H-pyrazole-5-carboxylic acid ethyl ester (639784-60-4)

Guidance literature:

1-(4-trifluoromethylphenyl)ethanone; With sodium ethanolate; In ethanol; at 25 ℃; for 0.333333h;

With Dimethyl oxalate; for 1h;

With hydrazine hydrate; for 12h;

Reference yield:

lithium 1-(4-trifluoromethylphenyl)-4-ethoxy-3,4-dioxobut-1-en-1-olate (1086835-80-4) → 5-(4-trifluoromethyl-phenyl)-1H-pyrazole-3-carboxylic acid ethyl ester (639784-60-4)

Guidance literature:

With hydrazine hydrate; acetic acid; at 20 ℃; Reflux;

Reference yield:

2,4-dioxo-4-(4-trifluoromethylphenyl)butyric acid ethyl ester (613240-19-0) → 3-(4-trifluoromethylphenyl)-1H-pyrazole-5-carboxylic acid ethyl ester (639784-60-4)

Guidance literature:

With hydrazine hydrate; acetic acid; for 2h; Reflux;

DOI:10.1007/s11030-020-10161-8

upstream raw materials:

1-(4-trifluoromethylphenyl)ethanone

2,4-dioxo-4-(4-trifluoromethylphenyl)butyric acid ethyl ester

lithium 1-(4-trifluoromethylphenyl)-4-ethoxy-3,4-dioxobut-1-en-1-olate

Downstream raw materials:

1-isopropyl-3-(4-trifluoromethylphenyl)-1H-pyrazol-5-carboxylic acid ethyl ester

2-(2,2,2-trifluoro-ethyl)-5-(4-trifluoromethyl-phenyl)-2H-pyrazole-3-carboxylic acid ethyl ester

1-(4-METHOXYBENZYL)-3-(4-TRIFLUOROMETHYLPHENYL)-5-HYDROXYMETHYL-PYRAZOLE

1-PROPYL-3-(4-TRIFLUOROMETHYLPHENYL)-5-HYDROXYMETHYL-PYRAZOLE

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