73941-33-0

Basic information

• Product Name: methyl 1-benzyl-1H-imidazole-5-carboxylate
• Synonyms: methyl 1-benzyl-1H-imidazole-5-carboxylate;1-Benzyl-1H-imidazole-5-carboxylic acid methyl ester;Methyl 1-benzyliMidazole-5-carboxylate;1-(Phenylmethyl)-1H-imidazole-5-carboxylic acid methyl ester;NSC 91543
• CAS NO: 73941-33-0
• Molecular Formula: C₁₂H₁₂N₂O₂
• Molecular Weight: 216.23588
• EINECS: 277-646-7
• Mol File: 73941-33-0.mol
• Article Data: 7

Chemical Properties

• Melting Point: 64℃
• Boiling Point: 381.8°C at 760 mmHg
• Flash Point: 184.7°C
• Appearance: /
• Density: 1.15g/cm³
• Vapor Pressure: 4.95E-06mmHg at 25°C
• Refractive Index: 1.574
• Storage Temp.: 2-8°C
• CAS DataBase Reference: methyl 1-benzyl-1H-imidazole-5-carboxylate(CAS DataBase Reference)
• NIST Chemistry Reference: methyl 1-benzyl-1H-imidazole-5-carboxylate(73941-33-0)
• EPA Substance Registry System: methyl 1-benzyl-1H-imidazole-5-carboxylate(73941-33-0)

Safety Data

• Hazardous Substances Data: 73941-33-0(Hazardous Substances Data)

Usage

General Description

Methyl 1-benzyl-1H-imidazole-5-carboxylate is a chemical compound commonly used in the field of organic chemistry as part of chemical synthesis. It features a complex structure including the rings of benzyl and imidazole groups, arranged around a centric carboxylate group. Its molecular formula is C14H14N2O2, indicating that it consists of carbon, hydrogen, nitrogen, and oxygen atoms. methyl 1-benzyl-1H-imidazole-5-carboxylate is often used in laboratory settings and research environments due to its properties and reactions with other chemicals. As with many specialized chemical compounds, safe handling according to MSDS guidelines is crucial.

InChI:InChI=1/C12H12N2O2/c1-16-12(15)11-7-13-9-14(11)8-10-5-3-2-4-6-10/h2-7,9H,8H2,1H3

Upstream product

• 76075-17-7 3-benzyl-3H-imidazole-4-carboxylic acid methyl ester; nitrate 
• 63086-36-2 2-(benzylamino)acetonitrile hydrochloride 
• 17325-26-7 1H-imidazole-5-carboxylic acid methyl ester 
• 100-51-6 benzyl alcohol 
• 17325-26-7 Methyl imidazole-4-carboxylate 
• 100-44-7 benzyl chloride 
• 98412-23-8 1-benzyl-2-mercapto-5-hydroxymethyl-imidazole 
• 67-56-1 methanol 
• 80304-50-3 1-benzyl-5-hydroxymethylimidazole 
• 100-46-9 benzylamine 
• 123017-47-0 N-benzyl,N-formylglycine methylester 
• 53386-64-4 methyl 2-(benzylamino)acetate 
• 100-39-0 benzyl bromide 
• 76075-15-5 methyl 1-benzyl-2-mercapto-5-imidazolecarboxylate 

Downstream Products

• 80304-50-3 1-benzyl-5-hydroxymethylimidazole 
• 84345-38-0 1-Benzylimidazole-5-carbonyl Chloride Hydrochloride 
• 84345-43-7 1-Benzyl-5-morpholinocarbonylimidazole 
• 84345-41-5 3-Benzyl-3H-imidazole-4-carboxylic acid butylamide 
• 84345-40-4 3-Benzyl-3H-imidazole-4-carboxylic acid amide 
• 5317-07-7 1-Benzylimidazole-5-carboxylic Acid 

Relevant articles and documents

IMIDAZOLIUM REAGENT FOR MASS SPECTROMETRY

The present invention relates to compounds which are suitable to be used in mass spectrometry as well as methods of mass spectrometric determination of analyte molecules using said compounds.

New selective inhibitors of steroid 11β-hydroxylation in the adrenal cortex. Synthesis and structure-activity relationship of potent etomidate analogues

Derivatives of etomidate were evaluated as inhibitors of adrenal steroid 11β-hydroxylations. Stereoselective coupling by Mitsunobu produced chirally pure analogues to study the effect of configuration, modification of the ester, and substitution in the phenyl ring, with the aim to probe specific sites for introducing a radionuclide. Iodophenyl metomidate (IMTO) labeled with iodine-131 served as radioligand for structure-affinity relationship studies. We have characterized the kinetic parameters of specific 131I-IMTO binding on rat adrenal membranes and used the displacement of 131I-IMTO binding to evaluate functionalized MTO analogues. Our results indicated that (1) (R)-configuration is essential for high affinity, (2) highest potency resides in the ethyl, 2-propyl, and 2-fluoroethyl esters, and (3) substitution of the phenyl ring is well tolerated. The clinically used inhibitors metyrapone and ketoconazole inhibited 131I-IMTO binding with low affinity. Incubation of selected analogues with human adrenocortical NCI-h295 cells demonstrated a high correlation with the inhibitory effect on cortisol secretion.

A method for controlling weeds

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