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(2R,3R)-(-)-2,3-Bis(diphenylphosphino)bicyclo[2.2.1]hept-5-ene - 95%, high purity , CAS No.71042-55-2
Basic Description
Synonyms
BP-12258 | MFCD00085365 | (1R,4S,5R,6R)-5,6-Bis(diphenylphosphaneyl)bicyclo[2.2.1]hept-2-ene | 1,1'-[(1R,2R,3R,4S)-Bicyclo[2.2.1]hept-5-ene-2,3-diyl]bis[1,1-diphenylphosphine] | DTXSID801135058 | (5R,6R)-5,6-Bis(diphenylphosphino)bicyclo[2.2.1]hept-2-ene
Specifications & Purity
≥95%
Storage Temp
Store at 2-8°C
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzene and substituted derivatives
Alternative Parents
Organic phosphines and derivatives Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Monocyclic benzene moiety - Phosphine - Organopnictogen compound - Hydrocarbon derivative - Organophosphorus compound - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Names and Identifiers
IUPAC Name
[(1S,2R,3R,4R)-3-diphenylphosphanyl-2-bicyclo[2.2.1]hept-5-enyl]-diphenylphosphane
INCHI
InChI=1S/C31H28P2/c1-5-13-26(14-6-1)32(27-15-7-2-8-16-27)30-24-21-22-25(23-24)31(30)33(28-17-9-3-10-18-28)29-19-11-4-12-20-29/h1-22,24-25,30-31H,23H2/t24-,25+,30-,31-/m1/s1
InChIKey
CDJHPMXMJUCLPA-RMDVPPNSSA-N
Smiles
C1C2C=CC1C(C2P(C3=CC=CC=C3)C4=CC=CC=C4)P(C5=CC=CC=C5)C6=CC=CC=C6
Isomeric SMILES
C1[C@@H]2C=C[C@H]1[C@H]([C@@H]2P(C3=CC=CC=C3)C4=CC=CC=C4)P(C5=CC=CC=C5)C6=CC=CC=C6
Molecular Weight
462.51
Reaxy-Rn
14762506
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14762506&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Sensitivity
Heat Sensitive
Specific Rotation[α]
-49° (C=1,CHCl3)
Melt Point(°C)
130°C
Molecular Weight
462.500 g/mol
XLogP3
6.900
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
0
Rotatable Bond Count
6
Exact Mass
462.167 Da
Monoisotopic Mass
462.167 Da
Topological Polar Surface Area
0.000 Ų
Heavy Atom Count
33
Formal Charge
0
Complexity
543.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
4
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
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C1928001