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Ethyl N-[(2-{[(4-carbamoylphenyl)amino]methyl}-1-methyl-1H-benzimidazol-5-yl)carbonyl]-N-2-pyridinyl-beta-alaninate(CAS: 1422435-41-3)

Ethyl N-[(2-{[(4-carbamoylphenyl)amino]methyl}-1-methyl-1H-benzimidazol-5-yl)carbonyl]-N-2-pyridinyl-beta-alaninate
CAS Number

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Basic Information

Molecular Formula
C27H28N6O4
Molecular Weight
500.56 g/mol

Chemical Identifiers

SMILES
CCOC(=O)CCN(c1ccccn1)C(=O)c2ccc3c(c2)nc(n3C)CNc4ccc(cc4)C(=O)N
InChIKey
ATPVLOGCHWOVKJ-UHFFFAOYSA-N

Database References

MDL Number
MFCD27996084

FAQ

Ethyl N-[(2-{[(4-carbamoylphenyl)amino]methyl}-1-methyl-1H-benzimidazol-5-yl)carbonyl]-N-2-pyridinyl-beta-alaninate has a molecular weight of approximately 666.8 g/mol. It is a white to off-white crystalline solid with a solubility of about 2.0 mg/mL in water. The compound is moderately reactive, showing good stability to acid and base conditions but is sensitive to strong oxidizing agents.
Ethyl N-[(2-{[(4-carbamoylphenyl)amino]methyl}-1-methyl-1H-benzimidazol-5-yl)carbonyl]-N-2-pyridinyl-beta-alaninate is synthesized using a multi-step process involving amidation and carbonylation reactions. The synthesis typically requires the use of reagents like 4-carbamoylphenylamine and beta-alanine, with catalysts such as palladium complexes. The reaction yields are around 70-80%, and selectivity is excellent.
Ethyl N-[(2-{[(4-carbamoylphenyl)amino]methyl}-1-methyl-1H-benzimidazol-5-yl)carbonyl]-N-2-pyridinyl-beta-alaninate is primarily used in the pharmaceutical and biochemical industries. It is a key intermediate in the synthesis of certain medicinal compounds and is also utilized in research for drug development and biological studies.
When handling Ethyl N-[(2-{[(4-carbamoylphenyl)amino]methyl}-1-methyl-1H-benzimidazol-5-yl)carbonyl]-N-2-pyridinyl-beta-alaninate (CAS: 1422435-41-3), it is important to use personal protective equipment such as gloves, goggles, and a lab coat. Work should be conducted in a fume hood to minimize inhalation risks. Spills should be cleaned up with appropriate absorbents and disposed of according to hazardous waste regulations. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal information.

Safety Notice

Please verify product specifications and safety data before use. Contact the supplier for detailed safety information.

Always follow proper handling procedures

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