ChemicalBook--->CAS DataBase List--->167487-83-4

167487-83-4

167487-83-4 Structure

167487-83-4 Structure
IdentificationBack Directory
[Name]

1H-Benzimidazole-4-carboxylicacid,ethylester(9CI)
[CAS]

167487-83-4
[Synonyms]

Ethyl 4-benzimidazolecarboxylate
Ethyl benzimidazole-4-carboxylate
Ethyl 1H-benzo[d]iMidazole-7-carboxylate
ethyl 1H-benzo[d]iMidazole-4-carboxylate
ethyl 3H-benzo[d]iMidazole-4-carboxylate
1H-BenziMidazole-4-carboxylic acid, ethyl ester
1H-Benzimidazole-4-carboxylicacid,ethylester(9CI)
[Molecular Formula]

C10H10N2O2
[MDL Number]

MFCD20692524
[MOL File]

167487-83-4.mol
[Molecular Weight]

190.2
Chemical PropertiesBack Directory
[Boiling point ]

417.6±18.0 °C(Predicted)
[density ]

1.272
[storage temp. ]

Sealed in dry,Room Temperature
[form ]

Solid
[pka]

10.82±0.30(Predicted)
[Appearance]

Light brown to brown Solid
[CAS DataBase Reference]

167487-83-4
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P280a-P304+P340-P305+P351+P338-P405-P501a
[HS Code ]

2933998090
Spectrum DetailBack Directory
[Spectrum Detail]

1H-Benzimidazole-4-carboxylicacid,ethylester(9CI)(167487-83-4)1HNMR
Hazard InformationBack Directory
[Synthesis]

Ethanol

64-17-5

1H-Benzimidazole-4-carboxylic acid

46006-36-4

1H-Benzimidazole-4-carboxylicacid,ethylester(9CI)

167487-83-4

Step 1: Synthesis of ethyl 1H-benzimidazole-4-carboxylate 2.50 g (15.4 mmol) of 1H-benzimidazole-4-carboxylic acid was dissolved in 100 mL of ethanol, 50 mL of saturated ethanolic hydrochloric acid solution was added, and heated and refluxed for 15 hours. After the reaction was completed, the reaction mixture was slowly poured into saturated aqueous potassium carbonate solution and extracted with ethyl acetate. The organic phases were combined, dried over anhydrous sodium sulfate and subsequently concentrated to about 50 mL by rotary evaporator and filtered to obtain the product. 1.80 g (9.46 mmol, 61% yield) of ethyl 1H-benzimidazole-4-carboxylate was finally obtained as a colorless solid. Thin layer chromatography (TLC) analysis showed an Rf value of 0.92 [silica gel plate, unfolding agent dichloromethane/methanol (80/20)]. Mass spectrometry (MS) analysis showed [ESI (M + H)+]] = 191.

[References]

[1] Patent: US2007/112033, 2007, A1. Location in patent: Page/Page column 16
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