Methyl 4-(1H-imidazol-1-yl)benzenecarboxylate

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Methyl 4-(1H-imidazol-1-yl)benzenecarboxylate Basic information

Product Name:	Methyl 4-(1H-imidazol-1-yl)benzenecarboxylate
Synonyms:	Methyl 4-(1H-iMidazol-1-yl)benzoate,99%;Methyl 4-(1H-imidazol-1-yl)benzoate 99%;Methyl 4-(1H-imidazol-1-yl);METHYL 4-(1 H-IMIDAZOL-1-YL)BENZOATE;RARECHEM AL BF 0793;4-(Imidazol-1-yl)benzoicacidmethylester;Methyl 4-(imidazol-1-yl)benzoate, GC 99%;Methyl 4-imidazol-1-ylbenzoate
CAS:	101184-08-1
MF:	C11H10N2O2
MW:	202.21
EINECS:
Product Categories:	Heterocyclic Compounds;Building Blocks;Heterocyclic Building Blocks;Imidazoles
Mol File:	101184-08-1.mol

Methyl 4-(1H-imidazol-1-yl)benzenecarboxylate Chemical Properties

Melting point	124-127 °C (lit.)
Boiling point	354.7±25.0 °C(Predicted)
density	1.18±0.1 g/cm3(Predicted)
storage temp.	Sealed in dry,Room Temperature
pka	5.06±0.10(Predicted)
Appearance	White to off-white Solid
InChI	InChI=1S/C11H10N2O2/c1-15-11(14)9-2-4-10(5-3-9)13-7-6-12-8-13/h2-8H,1H3
InChIKey	KUBBZTZQWIGHFH-UHFFFAOYSA-N
SMILES	C(OC)(=O)C1=CC=C(N2C=NC=C2)C=C1

Safety Information

MSDS Information

Provider	Language
SigmaAldrich	English

Methyl 4-(1H-imidazol-1-yl)benzenecarboxylate Usage And Synthesis

Uses	Methyl 4-(1H-imidazol-1-yl)benzoate is a imidazole derivative. It is a heterocyclic building block used in chemical synthesis.
General Description	Methyl 4-(1H-imidazol-1-yl)benzoate is a imidazole derivative. It is a heterocyclic building block used in chemical synthesis.
Synthesis	288-32-4 403-33-8 101184-08-1 General procedure for the synthesis of methyl 4-(1H-imidazol-1-yl)benzoate from imidazole and methyl 4-fluorobenzoate: imidazole (132 g, 1.9 mol), methyl 4-fluorobenzoate (170 ml, 1.3 mol) and potassium carbonate (357 g, 2.6 mol) were dissolved in DMSO (200 ml) to form a reaction mixture. The reaction mixture was stirred at 120°C for 3 hours. After completion of the reaction, it was cooled to room temperature and the mixture was poured into cold water. The solid product precipitated was collected by filtration and washed with cold water. The yield of the final product was 59%.
References	[1] Patent: KR101502187, 2015, B1. Location in patent: Paragraph 0384; 0385 [2] Journal of Medicinal Chemistry, 1990, vol. 33, # 4, p. 1091 - 1097 [3] Patent: US4804662, 1989, A

Methyl 4-(1H-imidazol-1-yl)benzenecarboxylate Preparation Products And Raw materials

Raw materials	Methanol-->Imidazole-->Methyl 4-iodobenzoate-->4-(1H-Imidazol-1-yl)benzaldehyde-->Methyl 4-fluorobenzoate-->4-(Methoxycarbonyl)phenylboronic acid-->Methyl 4-bromobenzoate-->Dimethyl sulfoxide-->Potassium carbonate
Preparation Products	4-(1H-Imidazol-1-yl)benzoic acid

Tag:Methyl 4-(1H-imidazol-1-yl)benzenecarboxylate(101184-08-1) Related Product Information

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