90877-62-6

Basic information

• Product Name: Benzonitrile, 3,5-dimethyl-4-(1-methylethyl)- (9CI)
• Synonyms: Benzonitrile, 3,5-dimethyl-4-(1-methylethyl)- (9CI)
• CAS NO: 90877-62-6
• Molecular Formula: C12H15N
• Molecular Weight: 173.2542
• Product Categories: ISOPROPYL
• Mol File: 90877-62-6.mol
• Article Data: 2

Chemical Properties

• Appearance: /
• CAS DataBase Reference: Benzonitrile, 3,5-dimethyl-4-(1-methylethyl)- (9CI)(CAS DataBase Reference)
• NIST Chemistry Reference: Benzonitrile, 3,5-dimethyl-4-(1-methylethyl)- (9CI)(90877-62-6)
• EPA Substance Registry System: Benzonitrile, 3,5-dimethyl-4-(1-methylethyl)- (9CI)(90877-62-6)

Safety Data

• Hazardous Substances Data: 90877-62-6(Hazardous Substances Data)

Upstream product

• 80041-89-0 isopropylboronic acid 
• 75344-77-3 4-bromo-3,5-dimethyl benzonitrile 
• 955929-58-5 4-cyano-2,6-dimethylphenyl trifluoromethanesulfonate 
• 4198-90-7 3,5-dimethyl-4-hydroxybenzonitrile 

Relevant articles and documents

Efficient cross-coupling of aryl/alkenyl triflates with acyclic secondary alkylboronic acids

Aryl-secondary alkyl cross-coupling with aryl sulfonate esters as coupling partners remains a significant challenge. Efficient cross-coupling between aryl/alkenyl triflates and acyclic secondary alkylboronic acids is realized for the first time to provide a series of sterically congested acyclic secondary alkyl arenes/olefins in good to excellent yields. The employment of sterically bulky P,PO ligand L1/L2 is crucial for the high yields and selectivities. The method has enabled a concise and 4-step synthesis of a key intermediate of male contraceptive agent and PAF antagonist gossypol.