312693-22-4

Basic information

• Product Name: 5-CYANO-5-METHYLHEXYLZINC BROMIDE
• Synonyms: 5-CYANO-5-METHYLHEXYLZINC BROMIDE;5-CYANO-5-METHYLHEXYLZINC BROMIDE, 0.5M SOLUTION IN TETRAHYDROFURAN;5-cyano-5-methylhexylzinc bromide solution
• CAS NO: 312693-22-4
• Molecular Formula: C8H14BrNZn
• Molecular Weight: 269.5
• Mol File: 312693-22-4.mol
• Article Data: 2

Chemical Properties

• Boiling Point: °Cat760mmHg
• Flash Point: 1 °F
• Appearance: /
• Density: 0.956 g/mL at 25 °C
• CAS DataBase Reference: 5-CYANO-5-METHYLHEXYLZINC BROMIDE(CAS DataBase Reference)
• NIST Chemistry Reference: 5-CYANO-5-METHYLHEXYLZINC BROMIDE(312693-22-4)
• EPA Substance Registry System: 5-CYANO-5-METHYLHEXYLZINC BROMIDE(312693-22-4)

Safety Data

• Hazard Codes: F,Xn
• Statements: 19-22-36/38-40-36/37-14-11
• Safety Statements: 16-26-33-36-36/37
• RIDADR: UN 2056 3/PG 2
• WGK Germany: 1
• Hazardous Substances Data: 312693-22-4(Hazardous Substances Data)

Usage

InChI:InChI=1/C8H14N.BrH.Zn/c1-4-5-6-8(2,3)7-9;;/h1,4-6H2,2-3H3;1H;/q;;+1/p-1/rC8H14BrNZn/c1-8(2,7-10)5-3-4-6-11-9/h3-6H2,1-2H3

Upstream product

• 53545-96-3 6-bromo-2,2-dimethylhexanenitrile 
• 7440-66-6 zinc 

Downstream Products

• 1452489-44-9 methyl (E)-3-(2-(N-(11-cyano-11-methyldodecan-5-yl)sulfamoyl)phenyl)acrylate 
• 1452489-45-0 methyl (E)-3-(2-(N-(2-butyl-7-cyano-7-methyloctyl)sulfamoyl)phenyl)acrylate 

Relevant articles and documents

Continuous flow Negishi cross-couplings employing silica-supported: Pd-PEPPSI - IPr precatalyst

The synthesis of a triethoxysilyl functionalised Pd-PEPPSI-IPr complex prepared via azide-alkyne cycloaddition is described. The complex was immobilised onto silica gel and applied as a heterogeneous catalyst in the Negishi reaction. The catalyst was active in both batch and continuous flow operation and was particularly effective for the coupling of heteroaryl chlorides. Long-term continuous flow experiments demonstrated good catalyst activity over fifteen hours.