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2,4-Diphenylimidazole

2,4-Diphenylimidazole structure

CAS No:
670-83-7
Formula:
C15H12N2
Chemical Name:
2,4-Diphenylimidazole
Synonyms:
2,4-Diphenylimidazole;2,4-Diphenyl-1H-imidazole;2,5-Diphenyl-1H-imidazole;1H-Imidazole, 2,4-diphenyl-;2,5-Diphenylimidazole;2,4(5)-Diphenylimidazole;CHEMBL327027;Imidazole, 2,4-diphenyl-;NSC167196;PubChem8872
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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2,4-Diphenylimidazole Basic Attributes

Molecular Weight：

220.275

Exact Mass：

220.100052

NSC Number：

167196

DSSTox ID：

DTXSID40304756

Characteristics

PSA：

28.7

XLogP3：

3.4

Density：

1.1±0.1 g/cm3

Melting Point：

164-166 °C(Solv: ethanol (64-17-5))

Boiling Point：

461.2°C at 760 mmHg

Flash Point：

254.7±6.5 °C

Refractive Index：

1.628

Safety Information

Marks：

2,4-Diphenylimidazole Use and Manufacturing

General procedure: To a stirred solution of aryl thioamide or amidine (1 mmol) in 5 mL distilled water was added alpha-tosyloxyketone (1 mmol) and the reaction mixture stirred at 60 C or 80 C till completion. Progress of the reaction was monitored by thin layer chromatography. After completion of the reaction, product was readily filtered and recrystallized from ethanol (3a-k, 3p-o and 4a-e). In some cases (3l-m and 4f-i) product was extracted with dichloromethane (25 mL), washed with brine (25 mL), the organic layers were combined, dried over anhydrous Na2SO4 and distilled off in vacuum. The residue so obtained was purified by column chromatography on silica gel (100-200 mesh) (EtOAc/Hexane) to give pure product.

Computed Properties

Molecular Weight:220.27
XLogP3:3.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:220.100048391
Monoisotopic Mass:220.100048391
Topological Polar Surface Area:28.7
Heavy Atom Count:17
Complexity:229
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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