Ethyl 2-(trifluoromethyl)pyrimidine-5-carboxylate

Base Information

• Chemical Name: Ethyl 2-(trifluoromethyl)pyrimidine-5-carboxylate
• CAS No.: 304693-64-9
• Molecular Formula: C8H7F3N2O2
• Molecular Weight: 220.151
• Hs Code.: 2933599090
• Mol file: 304693-64-9.mol

Synonyms:5-Pyrimidinecarboxylic acid, 2-(trifluoromethyl)-, ethyl ester;

Chemical Property of Ethyl 2-(trifluoromethyl)pyrimidine-5-carboxylate

Chemical Property:

• Vapor Pressure: 0.443mmHg at 25°C
• Melting Point: 65 °C
• Refractive Index: 1.448
• Boiling Point: 194.365 °C at 760 mmHg
• PKA: -3.50±0.22(Predicted)
• Flash Point: 71.349 °C
• PSA: 52.08000
• Density: 1.344 g/cm³
• LogP: 1.67210
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C

Purity/Quality:

99%, ^*data from raw suppliers

Ethyl2-(trifluoromethyl)pyrimidine-5-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: Ethyl 2-(Trifluoromethyl)pyrimidine-5-carboxylate is used to prepare NF-κB and AP-1 gene inhibitors.

Technology Process of Ethyl 2-(trifluoromethyl)pyrimidine-5-carboxylate

There total 3 articles about Ethyl 2-(trifluoromethyl)pyrimidine-5-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: 100.0%

ethyl 2-trifluoromethyl-4-chloropyrimidine-5-carboxylate (720-01-4) → ethyl 2-(trifluoromethyl)pyrimidine-5-carboxylate (304693-64-9)

Guidance literature:

With hydrogen; N-ethyl-N,N-diisopropylamine; palladium 10% on activated carbon; In ethanol; dichloromethane; for 2h; under 760.051 Torr;

Reference yield: 44.0%

ethyl 3-(dimethylamino)-2-formylprop-2-enoate (92385-43-8) + trifluoroacetamidine (354-37-0,133640-88-7,133640-89-8) → ethyl 2-(trifluoromethyl)pyrimidine-5-carboxylate (304693-64-9)

Guidance literature:

In ethanol; for 3h; Heating;

DOI:10.1021/jm0001626

Reference yield:

ethyl 2-(trifluoromethyl)-1,6-dihydro-6-oxopyrimidine-5-carboxylate (343-67-9) → ethyl 2-(trifluoromethyl)pyrimidine-5-carboxylate (304693-64-9)

Guidance literature:

Multi-step reaction with 2 steps

1: (COCl)2 / CH₂Cl₂

2: H₂; iPrNEt / Pd/C / ethanol

With oxalyl dichloride; hydrogen; N-isopropylethylamine; palladium on activated charcoal; In ethanol; dichloromethane;

DOI:10.1016/S0960-894X(01)00678-3

upstream raw materials:

ethyl 3-(dimethylamino)-2-formylprop-2-enoate

trifluoroacetamidine

ethyl 2-trifluoromethyl-4-chloropyrimidine-5-carboxylate

ethyl 2-(trifluoromethyl)-1,6-dihydro-6-oxopyrimidine-5-carboxylate

Downstream raw materials:

2-(trifluoromethyl)pyrimidine-5-carboxylic acid

2-morpholin-4-yl-2-(2-trifluoromethyl-pyrimidin-5-yl)-ethylamine

2-trifluoromethylpyrimidine-5-carbonyl chloride

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