CAS No.32683-00-4,Ethyl 2-phenyl-imidazole-4-carboxylate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	32683-00-4
Name:	Ethyl 2-phenyl-imidazole-4-carboxylate
Article Data:	7

Formula:	C₁₂H₁₂N₂O₂
Molecular Weight:	216.239
Synonyms:	2-Phenyl-1(3)H-imidazole-4-carboxylic acid ethyl ester;
Density:	1.196 g/cm³
Melting Point:	210℃
Boiling Point:	413.8 °C at 760 mmHg
Flash Point:	204 °C
PSA:	54.98000
LogP:	2.25340

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Specification

The Ethyl 2-phenyl-imidazole-4-carboxylate, with the CAS registry number 32683-00-4, is also known as 2-Phenyl-1(3)H-imidazole-4-carboxylic acid ethyl ester. It belongs to the product category of Pharmacetical. This chemical's molecular formula is C₁₂H₁₂N₂O₂ and molecular weight is 216.24. What's more, its IUPAC name is Ethyl 2-phenyl-1H-imidazole-5-carboxylate.

Physical properties about Ethyl 2-phenyl-imidazole-4-carboxylate are: (1)ACD/LogP: 2.39; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.38; (4)ACD/LogD (pH 7.4): 2.39; (5)ACD/BCF (pH 5.5): 37.97; (6)ACD/BCF (pH 7.4): 38.49; (7)ACD/KOC (pH 5.5): 468.24; (8)ACD/KOC (pH 7.4): 474.56; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 44.12 Å²; (13)Index of Refraction: 1.575; (14)Molar Refractivity: 59.77 cm³; (15)Molar Volume: 180.6 cm³; (16)Polarizability: 23.69×10^-24 cm³; (17)Surface Tension: 49.4 dyne/cm; (18)Density: 1.196 g/cm³; (19)Flash Point: 204 °C; (20)Enthalpy of Vaporization: 66.66 kJ/mol; (21)Boiling Point: 413.8 °C at 760 mmHg; (22)Vapour Pressure: 4.68E-07 mmHg at 25 °C.

Preparation of Ethyl 2-phenyl-imidazole-4-carboxylate: this chemical is prepared by reaction of Ethyl a-(hydroxyimino)-b-bromopropanoate with N-Methyl-N-phenyl-benzamidine. The reaction needs reagent Fe₃(CO)₁₂ and solvent 1, 2-Dichloro-ethane. This reaction needs two steps, the reaction conditions are 1.) r.t., 4 h; 2.) 80 °C, 20 h. The yield is about 31 %.

The Ethyl 2-phenyl-imidazole-4-carboxylate can be obtained by Ethyl a-(hydroxyimino)-b-bromopropanoate and N-Methyl-N-phenyl-benzamidine.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OCC)c2cnc(c1ccccc1)n2
(2) InChI: InChI=1/C12H12N2O2/c1-2-16-12(15)10-8-13-11(14-10)9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H,13,14)
(3) InChIKey: UABZXMAUPKBULM-UHFFFAOYAJ