ChemicalBook--->CAS DataBase List--->161468-45-7

161468-45-7

161468-45-7 Structure

161468-45-7 Structure
IdentificationBack Directory
[Name]

2-HYDROXY-BENZOIMIDAZOLE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
[CAS]

161468-45-7
[Synonyms]

N-BOC-2-HYDROXYBENZIMIDAZOLE
N-Boc-2-hydroxybenzimidazole≥ 97% (HPLC)
tert-butyl 2-oxo-3H-benzimidazole-1-carboxylate
tert-Butyl 2-hydroxy-1H-benzo[d]iMidazole-1-carboxylate
2-HYDROXY-BENZOIMIDAZOLE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
tert-Butyl 2-oxo-2,3-dihydro-1H-benzo[d]imidazole-1-carboxylate
2-Oxo-2,3-dihydrobenziMidazole-1-carboxylic Acid tert-Butyl Ester
1H-Benzimidazole-1-carboxylicacid, 2,3-dihydro-2-oxo-, 1,1-dimethylethyl ester
[Molecular Formula]

C12H14N2O3
[MDL Number]

MFCD02179636
[MOL File]

161468-45-7.mol
[Molecular Weight]

234.25
Chemical PropertiesBack Directory
[Melting point ]

>250 °C
[density ]

1.237±0.06 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,2-8°C
[solubility ]

Ethyl Acetate
[form ]

Solid
[pka]

10.57±0.30(Predicted)
[color ]

White
[InChI]

InChI=1S/C12H14N2O3/c1-12(2,3)17-11(16)14-9-7-5-4-6-8(9)13-10(14)15/h4-7H,1-3H3,(H,13,15)
[InChIKey]

GMUWCTKADZFKLT-UHFFFAOYSA-N
[SMILES]

C1(=O)N(C(OC(C)(C)C)=O)C2=CC=CC=C2N1
Safety DataBack Directory
[Symbol(GHS) ]

GHS hazard pictograms
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P280-P301+P312-P302+P352-P305+P351+P338
[Hazard Codes ]

Xn
[Risk Statements ]

20/21/22
[HS Code ]

29225090
Hazard InformationBack Directory
[Chemical Properties]

White powder
[Uses]

2-Oxo-2,3-dihydrobenzimidazole-1-carboxylic Acid tert-Butyl Ester is an substituent in the synthesis of Domperidone (D531100), a novel peripheral dopamine receptor antagonist that does not cross the blood-brain barrier and is used as an anti-emetic agent.
Spectrum DetailBack Directory
[Spectrum Detail]

2-HYDROXY-BENZOIMIDAZOLE-1-CARBOXYLIC ACID TERT-BUTYL ESTER(161468-45-7)1HNMR
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