ETHYL 3-(TRIFLUOROMETHYL)PYRAZOLE-4-CARBOXYLATE

Base Information

• Chemical Name: ETHYL 3-(TRIFLUOROMETHYL)PYRAZOLE-4-CARBOXYLATE
• CAS No.: 155377-19-8
• Molecular Formula: C7H7F3N2O2
• Molecular Weight: 208.14
• Hs Code.: 29331990
• Mol file: 155377-19-8.mol

Synonyms:3-Trifluoromethyl-1H-pyrazole-4-carboxylicacid ethyl ester;Ethyl3-trifluoromethylpyrazole-4-carboxylate;

Chemical Property of ETHYL 3-(TRIFLUOROMETHYL)PYRAZOLE-4-CARBOXYLATE

Chemical Property:

• Vapor Pressure: 0.00781mmHg at 25°C
• Melting Point: 145 °C
• Refractive Index: 1.57
• Boiling Point: 301.3 °C at 760 mmHg
• PKA: 8.26±0.50(Predicted)
• Flash Point: 136 °C
• PSA: 54.98000
• Density: 1.397 g/cm³
• LogP: 1.60520
• Storage Temp.: Inert atmosphere,Room Temperature
• Solubility.: soluble in Methanol

Purity/Quality:

99% ^*data from raw suppliers

Ethyl 3-(Trifluoromethyl)pyrazole-4-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Uses: Ethyl 3-(Trifluoromethyl)pyrazole-4-carboxylate (cas# 155377-19-8) is a compound useful in organic synthesis.

Technology Process of ETHYL 3-(TRIFLUOROMETHYL)PYRAZOLE-4-CARBOXYLATE

There total 11 articles about ETHYL 3-(TRIFLUOROMETHYL)PYRAZOLE-4-CARBOXYLATE 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: 95.0%

ethyl 2-(ethoxymethylidene)-4,4,4-trifluoro-3-oxobutanoate (571-55-1) → ethyl 3-trifluoromethyl-1H-pyrazole-4-carboxylate (155377-19-8)

Guidance literature:

With hydrazine hydrate; In ethanol; at 0 - 20 ℃; for 4.5h;

DOI:10.1016/j.tet.2011.09.029

Reference yield: 91.6%

trifluoroacetyl fluoride (354-34-7) + sodium 3-ethoxy-3-oxoprop-1-en-1-olate → ethyl 3-trifluoromethyl-1H-pyrazole-4-carboxylate (155377-19-8)

Guidance literature:

trifluoroacetyl fluoride; sodium 3-ethoxy-3-oxoprop-1-en-1-olate; With tetrabutyl-ammonium chloride; In toluene; at -10 ℃; for 1h;

With hydrazine hydrate; In toluene; at 0 ℃; for 1h;

Reference yield: 84.0%

C10H15F3N2O2Si → ethyl 3-trifluoromethyl-1H-pyrazole-4-carboxylate (155377-19-8)

Guidance literature:

With tetrabutyl ammonium fluoride; acetic acid; In tetrahydrofuran; at 70 ℃; for 0.5h; under 6723.1 Torr;

DOI:10.1002/ejoc.201700992

upstream raw materials:

ethyl 4,4,4-trifluoroacetoacetate

orthoformic acid triethyl ester

ethyl 2-(ethoxymethylidene)-4,4,4-trifluoro-3-oxobutanoate

2,2,2-trifluorodiazoethane

Downstream raw materials:

ethyl 1-[2-(2-bromophenyl)ethyl]-3-(trifluoromethyl)-1H-pyrazole-4-carboxylate

ethyl 1-phenyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylate

(3-(trifluoromethyl)-1H-pyrazolyl-4-yl)methanol

ethyl 1-(3-fluorophenyl)-3-(trifluoromethyl)-1H-pyrazole-4-carboxylate

Refernces

• 1、 Bello, Davide,Braillard, Stéphanie,Caljon, Guy,Carvalho, Sandra,Corpas-Lopez, Victoriano,Freund, Yvonne,Gilbert, Ian H.,Glossop, Paul A.,Jacobs, Robert T.,Lukac, Iva,Maes, Louis,Mowbray, Charles E.,Nare, Bakela,Pandi, Bharathi,Patterson, Stephen,Speake, Jason,Van Den Kerkhof, Magali,Wall, Richard J.,Whitlock, Gavin A.,Wyllie, Susan,Yardley, Vanessa,Zuccotto, Fabio. "DNDI-6148: A Novel Benzoxaborole Preclinical Candidate for the Treatment of Visceral Leishmaniasis". . p. 16159 - 16176. Retrieved 2021/11/16.
• 2、 -. "Preparation method for polyhalogenated methylpyrazole formate". Paragraph 0070; 0071. . Retrieved 2020/05/02.