Compound Q&A

How is N-(7-Chloro-1-{(3R)-1-[(2E)-4-(dimethylamino)-2-butenoyl]-3-azepanyl}-1H-benzimidazol-2-yl)-2-methylisonicotinamide methanesulfonate (CAS: 1508250-72-3) typically synthesized?

Answer

N-(7-Chloro-1-{(3R)-1-[(2E)-4-(dimethylamino)-2-butenoyl]-3-azepanyl}-1H-benzimidazol-2-yl)-2-methylisonicotinamide methanesulfonate (1:1)
N-(7-Chloro-1-{(3R)-1-[(2E)-4-(dimethylamino)-2-butenoyl]-3-azepanyl}-1H-benzimidazol-2-yl)-2-methylisonicotinamide methanesulfonate (CAS: 1508250-72-3) is typically synthesized via the condensation of 7-chloro-1H-benzimidazol-2-ylamine with 2-methylisonicotinoyl chloride followed by methanesulfonation. The reaction is carried out under anhydrous conditions and requires a phase transfer catalyst. The yield is around 70-80% with high selectivity towards the desired product.

About

English Name N-(7-Chloro-1-{(3R)-1-[(2E)-4-(dimethylamino)-2-butenoyl]-3-azepanyl}-1H-benzimidazol-2-yl)-2-methylisonicotinamide methanesulfonate (1:1)
Molecular Formula C27H35ClN6O5S
Molecular Weight 591.1340000000005 g/mol
SMILES Cc1cc(ccn1)C(=O)Nc2nc3cccc(c3n2[C@@H]4CCCCN(C4)C(=O)/C=C/CN(C)C)Cl.CS(=O)(=O)O
InChIKey BJRYTAMUVASSBY-ZJULCNDBSA-N
Last Updated: 2026-03-19 20:21

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