112043-92-2

Basic information

• Product Name: Bicyclo[1.1.1]pentane, 1-bromo-3-phenyl-
• CAS NO: 112043-92-2
• Molecular Formula: C11H11Br
• Molecular Weight: 223.112
• Mol File: 112043-92-2.mol
• Article Data: 2

Chemical Properties

• CAS DataBase Reference: Bicyclo[1.1.1]pentane, 1-bromo-3-phenyl-(CAS DataBase Reference)
• NIST Chemistry Reference: Bicyclo[1.1.1]pentane, 1-bromo-3-phenyl-(112043-92-2)
• EPA Substance Registry System: Bicyclo[1.1.1]pentane, 1-bromo-3-phenyl-(112043-92-2)

Safety Data

• Hazardous Substances Data: 112043-92-2(Hazardous Substances Data)

Upstream product

• 156329-79-2 3-Phenyl-bicyclo[1.1.1]pentane-1-carboxylic acid 2-thioxo-2H-pyridin-1-yl ester 
• 71-43-2 benzene 
• 83249-04-1 3-phenylbicyclo<1.1.1>pentane-1-carboxylic acid 
• 591-50-4 iodobenzene 

Downstream Products

• 15760-38-0 (3-methylenecyclobutyl)benzene 
• 134938-21-9 1-phenylbicyclo<1.1.1>pentane 

Relevant articles and documents

13C-13C Coupling Constants in Bridgehead Polycycloalkanecarboxylic Acids

A series of bicyclic and polycyclic systems substituted with the 13C-labeled carboxyl group at the bridgehead have been synthesized for 13C NMR analysis.It is found that one-bond coupling to the bridgehead carbon atoms shows a reasonable correlation with s character.Vicinal coupling to the unsubstituted bridgehead carbon in the bicyclic compounds was observed to be considerably smaller than anticipated.Calculated values of 3J(13C-13Cbridgehead) obtained by SCF MO calculations performed at the INDO level are in excellent agreement with those determined experimentally and demonstrate that the magnitude of 3J(C-C) is a reflection of opposing through-bond and through-space contributions.On the basis of the MO calculations, the large four-bond 13C-1H coupling in bicyclopentane-1-carboxylic-6-13C acid can be attributed almost entirely to the effect of through-space interactions.