Home > Products > Screening Compounds P81532 > Methyl 1H-Imidazole-5-Carboxylate

Methyl 1H-Imidazole-5-Carboxylate

Catalog Number: EVT-288429

CAS Number: 17325-26-7

Molecular Formula: C5H6N2O2

Molecular Weight: 126.11 g/mol

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Product Introduction

Description

Methyl 1H-Imidazole-5-Carboxylate is a reagent developed for the amidation and esterification of carboxylic acids chemoselectively . It plays an important role in medicinal chemistry, as many of its derivatives have demonstrated significant biological activity.

Synthesis Analysis

The synthesis of imidazole derivatives, including Methyl 1H-Imidazole-5-Carboxylate, has been a topic of interest in recent years due to their significant biological activity. Various methods have been used in the preparation of imidazole derivatives. For instance, a two-step procedure involving nucleophilic substitution of the 1-NH of ethyl 5-methyl-1H-imidazole-4-carboxylate by (bromomethyl)benzene in DMF at room temperature under basic conditions and subsequent hydrolysis of esters has been described.

Molecular Structure Analysis

The molecular structure of Methyl 1H-Imidazole-5-Carboxylate is available in various databases. The molecular formula is C5H6N2O2. The structure can be viewed using Java or Javascript.

Chemical Reactions Analysis

Methyl 1H-Imidazole-5-Carboxylate is used in various chemical reactions. For example, it is used to prepare fluorous β-keto esters, precursors used for the synthesis of fluorinated L-carbidopa derivatives.

Physical And Chemical Properties Analysis

Methyl 1H-Imidazole-5-Carboxylate is a solid at 20 degrees Celsius . It has a molecular weight of 126.12 g/mol. It appears as a white to light yellow to light orange powder to crystal . It has a melting point of 151.0 to 156.0 °C . It is soluble in methanol .

Properties

CAS Number

17325-26-7

Product Name

Methyl 1H-Imidazole-5-Carboxylate

IUPAC Name

methyl 1H-imidazole-5-carboxylate

Molecular Formula

C5H6N2O2

Molecular Weight

126.11 g/mol

InChI

InChI=1S/C5H6N2O2/c1-9-5(8)4-2-6-3-7-4/h2-3H,1H3,(H,6,7)

InChI Key

DVLGIQNHKLWSRU-UHFFFAOYSA-N

SMILES

COC(=O)C1=CN=CN1

Solubility

18.9 [ug/mL]

Canonical SMILES

COC(=O)C1=CN=CN1

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