129488-49-9

Basic information

• Product Name: 4-tert-butyl-N-(4-cyanophenyl)benzamide
• Synonyms: 4-tert-butyl-N-(4-cyanophenyl)benzamide
• CAS NO: 129488-49-9
• Molecular Formula: C18H18N2O
• Molecular Weight: 278.34832
• Mol File: 129488-49-9.mol
• Article Data: 2

Chemical Properties

• Appearance: /
• CAS DataBase Reference: 4-tert-butyl-N-(4-cyanophenyl)benzamide(CAS DataBase Reference)
• NIST Chemistry Reference: 4-tert-butyl-N-(4-cyanophenyl)benzamide(129488-49-9)
• EPA Substance Registry System: 4-tert-butyl-N-(4-cyanophenyl)benzamide(129488-49-9)

Safety Data

• Hazardous Substances Data: 129488-49-9(Hazardous Substances Data)

Upstream product

• 98-73-7 4-(1,1-dimethylethyl)benzoic acid 
• 873-74-5 4-Aminobenzonitrile 
• 1710-98-1 p-tert-butyl benzoyl chloride 
• 3972-65-4 1-bromo-4-tert-butylbenzene 
• 4210-32-6 4-tert-butyl benzonitrile 

Relevant articles and documents

Metabolically stable tert-butyl replacement

Susceptibility to metabolism is a common issue with the tert-butyl group on compounds of medicinal interest. We demonstrate an approach of removing all the fully sp3 C-Hs from a tert-butyl group: replacing some C-Hs with C-Fs and increasing the s-character of the remaining C-Hs. This approach gave a trifluoromethylcyclopropyl group, which increased metabolic stability. Trifluoromethylcyclopropyl-containing analogues had consistently higher metabolic stability in vitro and in vivo compared to their tert-butyl-containing counterparts.