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
• Article Data: 2

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.