254977-45-2

Basic information

• Product Name: 3-methoxy-7α-phenyl-1,5-dimethyl-3-borabicyclo[3.3.1]nonane
• Synonyms: 3-methoxy-7α-phenyl-1,5-dimethyl-3-borabicyclo[3.3.1]nonane
• CAS NO: 254977-45-2
• Molecular Weight: 256.196
• Mol File: 254977-45-2.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: 3-methoxy-7α-phenyl-1,5-dimethyl-3-borabicyclo[3.3.1]nonane(CAS DataBase Reference)
• NIST Chemistry Reference: 3-methoxy-7α-phenyl-1,5-dimethyl-3-borabicyclo[3.3.1]nonane(254977-45-2)
• EPA Substance Registry System: 3-methoxy-7α-phenyl-1,5-dimethyl-3-borabicyclo[3.3.1]nonane(254977-45-2)

Safety Data

• Hazardous Substances Data: 254977-45-2(Hazardous Substances Data)

Upstream product

• 254977-44-1 3-methoxy-7α-phenyl-1,5-dimethyl-3-borabicyclo[3.3.1]non-6-ene 
• 1333-74-0 hydrogen 
• 32784-73-9 tris(2-methyl-2-propenyl)borane 

Relevant articles and documents

Conformational behavior of 3-borabicyclo[3.3.1]nonanes: 1. Study of molecular dynamics in 3-methoxy-7α-phenyl-1,5-dimethyl-3-borabicyclo[3.3.1]nonane

3-Methoxy-7α-phenyl-1,5-dimethyl-3-borabicyclo[3.3.1]nonane 5 in solution at room temperature exists in the double chair conformation, as shown by NMR studies. Increasing the temperature leads to an increase in the population of the chair-boat conformation. At decreased temperature hindered rotation around the B-O bond is observed for 5. Dissolving 5 in deuteropyridine leads to the reversible formation of complex 6, which exists in the chair-boat conformation. The chair-boat conformation is also the most stable one for chelate compound 7 with a tetracoordinated boron atom.