96631-89-9

Basic information

• Product Name: Benzonitrile, 3-[2-(dimethylamino)ethenyl]-4-nitro-, (E)-
• CAS NO: 96631-89-9
• Molecular Formula: C11H11N3O2
• Molecular Weight: 217.227
• Mol File: 96631-89-9.mol

Chemical Properties

• CAS DataBase Reference: Benzonitrile, 3-[2-(dimethylamino)ethenyl]-4-nitro-, (E)-(CAS DataBase Reference)
• NIST Chemistry Reference: Benzonitrile, 3-[2-(dimethylamino)ethenyl]-4-nitro-, (E)-(96631-89-9)
• EPA Substance Registry System: Benzonitrile, 3-[2-(dimethylamino)ethenyl]-4-nitro-, (E)-(96631-89-9)

Safety Data

• Hazardous Substances Data: 96631-89-9(Hazardous Substances Data)

Upstream product

• 96784-54-2 3-methyl-4-nitrobenzonitrile 
• 4637-24-5 N,N-dimethyl-formamide dimethyl acetal 

Downstream Products

• 530145-64-3 N-[(2-amino-5-cyanophenyl)methyl]-N-[(1R)-1-(phenylmethyl)-2-[(phenylsulphonyl)oxy]ethyl]-2-thiophenesulfonamide 
• 530145-72-3 N-[(5-cyano-2-nitrophenyl)methyl]-N-[(1R)-1-(phenylmethyl)-2-[(phenylsulfonyl)oxy]ethyl]-2-thiophenesulfonamide 
• 530145-62-1 (R)-N-(5-cyano-2-nitrobenzyl)-N-(1-hydroxy-3-phenylpropan-2-yl)thiophene-2-sulfonamide 
• 530145-71-2 N-[(5-cyano-2-nitrophenyl)methyl]-N-[(1R)-1-(phenylmethyl)-2-[(trimethylsilyl)oxy]ethyl]-2-thiophenesulfonamide 
• 195987-41-8 BMS-214662 
• 530145-61-0 (R)-3-[[N-(1-hydroxymethyl-2-phenylethyl)amino]methyl]-4-nitrobenzenecarbonitrile 
• 90178-82-8 3-formyl-4-nitrobenzonitrile 
• 195985-38-7 (R)-2,3,4,5-tetrahydro-3-(phenylmethyl)-4-(thien-2-ylsulfonyl)-1H-1,4-benzodiazepine-7-carbonitrile 

Relevant articles and documents

Development of a Practical Synthesis of a Farnesyltransferase Inhibitor

The development of a new and practical synthesis for a farnesyltransferase inhibitor 1 is described. The new route started from 2-nitro-5-cyanotoluene (9) and afforded desired 1 in eight chemical transformations. The key step involved formation of sulfonamide 13 from a hindered β-hydroxyamine 12 through an in situ protection of the hydroxyl group by forming TMS ether. Ultimately, this new route was successfully demonstrated to generate >10 kg of API in 29% overall yield.

NOVEL COMPOUNDS

Imidazolone and pyrazolone derivatives of formula (I) described herein exhibit human neutrophil elastase inhibitory properties and are useful for the therapy of diseases and conditions in which HNE is implicated.