Ethyl 4-(trifluoromethyl)-1H-imidazole-5-carboxylate

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CAS
55942-41-1
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Catalog Number

ACM55942411

Product Name

Ethyl 4-(trifluoromethyl)-1H-imidazole-5-carboxylate

Structure

CAS

55942-41-1

A great role in organic synthesis

As a substrate of continuously controllable defluorination of trifluoromethyl, ethyl 4-(trifluoromethyl)-1H-imidazole-5-carboxylate can be used to synthesize various fluorine-containing organic compounds.

What is the molecular formula of Ethyl 4-(trifluoromethyl)-1H-imidazole-5-carboxylate?

The molecular formula is C7H7F3N2O2.

What is the molecular weight of Ethyl 4-(trifluoromethyl)-1H-imidazole-5-carboxylate?

The molecular weight is 208.14 g/mol.

What is the IUPAC name of Ethyl 4-(trifluoromethyl)-1H-imidazole-5-carboxylate?

The IUPAC name is ethyl 5-(trifluoromethyl)-1H-imidazole-4-carboxylate.

What is the InChI of Ethyl 4-(trifluoromethyl)-1H-imidazole-5-carboxylate?

The InChI is InChI=1S/C7H7F3N2O2/c1-2-14-6(13)4-5(7(8,9)10)12-3-11-4/h3H,2H2,1H3,(H,11,12).

What is the InChIKey of Ethyl 4-(trifluoromethyl)-1H-imidazole-5-carboxylate?

The InChIKey is GKUCPVKNHSQTEO-UHFFFAOYSA-N.

What is the canonical SMILES of Ethyl 4-(trifluoromethyl)-1H-imidazole-5-carboxylate?

The canonical SMILES is CCOC(=O)C1=C(NC=N1)C(F)(F)F.

What is the CAS number of Ethyl 4-(trifluoromethyl)-1H-imidazole-5-carboxylate?

The CAS number is 55942-41-1.

What is the European Community (EC) number of Ethyl 4-(trifluoromethyl)-1H-imidazole-5-carboxylate?

The European Community (EC) number is 803-719-5.

What is the ChEMBL ID of Ethyl 4-(trifluoromethyl)-1H-imidazole-5-carboxylate?

The ChEMBL ID is CHEMBL4906703.

Is Ethyl 4-(trifluoromethyl)-1H-imidazole-5-carboxylate a canonicalized compound?

Yes, it is a canonicalized compound.

Simple Synthesis of Imidazole Drugs from Ethyl 4-(trifluoromethyl)-1H-imidazole-5-carboxylate

KUMAR R, Ultra Chemistry, 2016, 12(2), 35-37.

Many of the substituted imidazoles are known as inhibitors of fungicides and herbicides, plant growth regulators and therapeutic agents. Generally, condensation of 1,2-dicarbonyl compounds with aryl 1,2-diamines affording pyridopyrazines is an interesting target in modern organic chemistry.
Synthesis process
· Ethyl 4-(trifluoromethyl)-1H-imidazole-5-carboxylate (1) and 2Chloro-3-nitro-6-methoxypyridine react each other to offer Ethyl 4(trifluoromethyl)-1-(6-methoxy-3-nitropyridin-2-yl)-1H-imidazole-5carboxylate (2).
· Compound 2 cyclised with Sodiumdithionate to form 2Methoxy-7-(trifluoromethyl)imidazo[1,5-a]pyrido[3,2-e]pyrazin-6(5H)one(3) which on chlorination offers 6-Chloro-2-methoxy-7-(trifluoromethyl) imidazo[1,5-a]pyrido[3,2-e]pyrazine(4).

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