149074-44-2

Basic information

• Product Name: 1-cyclohexyl-5-(3-nitrophenyl)-4,6,9-trioxa-1-azonia-5-boratabicyclo{3.3.1}nonane
• CAS NO: 149074-44-2
• Molecular Weight: 334.18
• Mol File: 149074-44-2.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: 1-cyclohexyl-5-(3-nitrophenyl)-4,6,9-trioxa-1-azonia-5-boratabicyclo{3.3.1}nonane(CAS DataBase Reference)
• NIST Chemistry Reference: 1-cyclohexyl-5-(3-nitrophenyl)-4,6,9-trioxa-1-azonia-5-boratabicyclo{3.3.1}nonane(149074-44-2)
• EPA Substance Registry System: 1-cyclohexyl-5-(3-nitrophenyl)-4,6,9-trioxa-1-azonia-5-boratabicyclo{3.3.1}nonane(149074-44-2)

Safety Data

• Hazardous Substances Data: 149074-44-2(Hazardous Substances Data)

Upstream product

• 13331-27-6 m-nitrobenzene boronic acid 
• 30477-47-5 N-cyclohexyl-N,N-bis-(2-hydroxyethyl)amine-N-oxide 

Relevant articles and documents

Structural studies of organoboron compounds. LVII. Synthesis and structure of bicyclic boron-nitrogen betaines. 1-Methyl-5-(3-nitrophenyl)-4,6,9-trioxa-1-azonia-5-boratabicyclononane and 3,3,4-trimethyl-1-(3-nitrophenyl)-2,6,7-trioxa-3-azonia-1-boratabicyclooctane

The syntheses and structures of the bicyclic boron-nitrogen betaines 1-methyl-5-(3-nitrophenyl)-4,6,9-trioxa-1-azonia-5-boratabicyclononane, 7a, and 3,3,4-trimethyl-1-(3-nitrophenyl)-2,6,7-trioxa-3-azonia-1-boratobicyclooctane, 14a, are reported.Crystals of 7a are orthorhombic, a = 20.256(2), b = 37.652(2), c = 6.642(1) Angstroem, Z = 16, space group Fdd2, and those of 14a are orthorhombic, a = 21.402(2), b = 11.334(3), c = 11.248(2) Angstroem, Z = 8, space group Pbca.The structures were solved by direct methods and were refined by full-matrix least-squares procedures to R = 0.038 and 0.045 (Rw = 0.036 and 0.053) for 975 and 1646 reflections with I greater equal than 3?(F2), respectively.The X-ray analyses establish the bicyclononane and bicyclooctane cage structures for 7a and 14a, respectively.Bond lengths involving the tetrahedral boron atom are (N)O-B = 1.519(5), (C)O-B = 1.444(6) and 1.443(6), C(aryl)-B = 1.602(5) Angstroem for 7a; and (N)O-B = 1.530(3), C(O)-B = 1.446(3) and 1.455(3), C(aryl)-B = 1.608(3) Angstroem for 14a.Weak C-H...O interactions are the main feature of the crystal packing arrangements of both compounds.