| Identification | Back Directory | [Name]
METHYL 4-(1H-IMIDAZOL-1-YL)BENZENECARBOXYLATE | [CAS]
101184-08-1 | [Synonyms]
RARECHEM AL BF 0793
Methyl 4-(1H-imidazol-1-yl)
Methyl 4-imidazol-1-ylbenzoate
METHYL 4-(1 H-IMIDAZOL-1-YL)BENZOATE
4-(Imidazol-1-yl)benzoicacidmethylester
Methyl 4-(1H-iMidazol-1-yl)benzoate,99%
Methyl 4-(1H-imidazol-1-yl)benzoate 99%
Methyl 4-(imidazol-1-yl)benzoate, GC 99%
1-(4-Methoxycarbonylphenyl)-1H-imidazole
METHYL 4-(1H-IMIDAZOL-1-YL)BENZENECARBOXYLATE
Benzoic acid, 4-(1H-imidazol-1-yl)-, methyl ester | [Molecular Formula]
C11H10N2O2 | [MDL Number]
MFCD00127080 | [MOL File]
101184-08-1.mol | [Molecular Weight]
202.21 |
| Chemical Properties | Back Directory | [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 Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
36/37/38 | [Safety Statements ]
26-36 | [WGK Germany ]
3
| [HazardClass ]
IRRITANT | [HS Code ]
2933299090 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| Hazard Information | Back Directory | [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]
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 |
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Sigma-Aldrich
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