128526-49-8

Basic information

• Product Name: 7-Amino-8-cyano-9-phenyl-2,3,4,5-tetrahydropyrido<1,2-a><1,3>diazepine
• CAS NO: 128526-49-8
• Molecular Weight: 264.33
• Mol File: 128526-49-8.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: 7-Amino-8-cyano-9-phenyl-2,3,4,5-tetrahydropyrido<1,2-a><1,3>diazepine(CAS DataBase Reference)
• NIST Chemistry Reference: 7-Amino-8-cyano-9-phenyl-2,3,4,5-tetrahydropyrido<1,2-a><1,3>diazepine(128526-49-8)
• EPA Substance Registry System: 7-Amino-8-cyano-9-phenyl-2,3,4,5-tetrahydropyrido<1,2-a><1,3>diazepine(128526-49-8)

Safety Data

• Hazardous Substances Data: 128526-49-8(Hazardous Substances Data)

Upstream product

• 5700-04-9 1,3-diazacycloheptane-2-thione 
• 4651-78-9 2-bromo-1-phenylethylidenemalononitrile 

Relevant articles and documents

Condensation of (2-Bromo-1-phenylethylidene)malononitrile with Substituted Thioureas: An Unusual Ring Size Effect

Condensations of the title electrophile with ambient S,N-nucleophiles, e.g., thiourea, N,N'-diphenylthiourea, and thiosemicarbazide, proceed via initial S-alkylation followed by closure of the thiazole ring.In contrast to this, cyclic thioureas with the five-, six- and seven-membered rings afford distinct condensation products depending on the size of the ring. 2-Imidazolinethione gave 7-cyano-2,3-dihydro-5-mercapto-6-phenyl-1H-pyrrolo-imidazole in low yield. 3,4,5,6-Tetrahydro-2(1H)-pyrimidinethione afforded malonitrile in high yield, while 1,3,4,5,6,7-hexahydro-2H-1,3-diazepine-2-thione gave 7-amino-8-cyano-9-phenyl-2,3,4,5-tetrahydropyridodiazepine in moderate yield.A common feature of these cyclizations is the primary S-nucleophilic attack, which was confirmed by isolation and characterization of the corresponding intermediates.The effects of ring size are discussed.