(-)-1,2-Bis((2S,5S)-2,5-dimethylphospholano)ethane(1,5-cyclooctadiene)rhodium(I) tetrafluoroborate - ≥98%, (S,S)-Me-BPE-Rh , CAS No.213343-65-8

CAS: 213343-65-8 Cat. No.: B282809 Molecular Weight: 556.21 EC Number: 633-653-0 PubChem CID: 12964417

GRADE & PURITY ≥98%, (S,S)-Me-BPE-Rh

Synonyms

(-)-1,2-Bis((2S,5S)-2,5-dimethylphospholano)ethane(1,5-cyclooctadiene)rhodium(I) tetrafluoroborate, 98+% (S,S)-Me-BPE-Rh | (-)-1,2-BIS((2S,5S)-2,5-DIMETHYLPHOSPHOLANO)ETHANE(CYCLOOCTADIENE)RHODIUM(I)TETRAFLUOROBORATE | (-)-1,2-Bis((2S,5S)-2,5-dimethylphos

Storage

Room temperature

Specifications

Synonyms

(-)-1, 2-Bis((2S, 5S)-2, 5-dimethylphospholano)ethane(1, 5-cyclooctadiene)rhodium(I) tetrafluoroborate, 98+% (S, S)-Me-BPE-Rh | (-)-1, 2-BIS((2S, 5S)-2, 5-DIMETHYLPHOSPHOLANO)ETHANE(CYCLOOCTADIENE)RHODIUM(I)TETRAFLUOROBORATE | (-)-1, 2-Bis((2S, 5S)-2, 5-dimethylphos

Specifications & Purity

≥98%, (S, S)-Me-BPE-Rh

Legal Information

(S, S)-Duphos and BPE Rhodium Catalyst Kit component.

Storage

Room temperature

Purity

≥98%

Names and Identifiers

• Canonical Smiles: [B-](F)(F)(F)F.CC1CCC(P1CCP2C(CCC2C)C)C.C1CC=CCCC=C1.[Rh]
• IUPAC Name: (1Z,5Z)-cycloocta-1,5-diene;(2S,5S)-1-[2-[(2S,5S)-2,5-dimethylphospholan-1-yl]ethyl]-2,5-dimethylphospholane;rhodium;tetrafluoroborate
• InChIKey: LKVIVYCYPYTYSO-ASDDUFFSSA-N
• INCHI: 1S/C14H28P2.C8H12.BF4.Rh/c1-11-5-6-12(2)15(11)9-10-16-13(3)7-8-14(16)4;1-2-4-6-8-7-5-3-1;2-1(3,4)5;/h11-14H,5-10H2,1-4H3;1-2,7-8H,3-6H2;;/q;;-1;/b;2-1-,8-7-;;/t11-,12-,13-,14-;;;/m0.../s1
• Isomeric SMILES: [B-](F)(F)(F)F.C[C@@H]1P([C@H](CC1)C)CCP2[C@H](CC[C@@H]2C)C.C1/C=C\CC/C=C\C1.[Rh]
• WGK Germany: 3
• PubChem CID: 12964417
• Molecular Weight: 556.21

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Metalloheterocyclic compounds
      • Subclass Phospholanes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Metalloheterocyclic compounds
• Subclass: Phospholanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Phospholanes
• Alternative Parents: Organic phosphines and derivatives Phosphacyclic compounds Organic transition metal salts Organic metalloid salts Cycloalkenes Unsaturated aliphatic hydrocarbons Organopnictogen compounds Hydrocarbon derivatives Organic anions
• Molecular Framework: Not available
• Substituents: Phospholane - Phosphine - Cyclic olefin - Cycloalkene - Phosphacycle - Organic metalloid salt - Organic transition metal salt - Organopnictogen compound - Unsaturated aliphatic hydrocarbon - Olefin - Hydrocarbon derivative - Organophosphorus compound - Unsaturated hydrocarbon - Hydrocarbon - Organic anion - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phospholanes. These are compounds containing a phospholane ring, which is a five-member saturated aliphatic heterocycle with one phosphorus atom and four carbon atoms.
• 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.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Sensitivity: air sensitive
• Molecular Weight: 556.200 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 556.169 Da
• Monoisotopic Mass: 556.169 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 30
• Formal Charge: -1
• Complexity: 277.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 4
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 2
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 2
• Covalently-Bonded Unit Count: 4

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