Chloro(1,5-cyclooctadiene)rhodium(I) dimer - RH 41.7% , CAS No.12092-47-6

CAS: 12092-47-6 Cat. No.: C113573 Molecular Weight: 493.08 EC Number: 235-157-6 PubChem CID: 6436379

GRADE & PURITY RH 41.7%

Synonyms

Chiralyst P493 | Rhodium, di-.mu.-chlorobis[(1,2,5,6-.eta.)-1,5-cyclooctadiene]di- | Rhodium, di-mu-chlorobis[(1,2,5,6-eta)-1,5-cyclooctadiene]di- | MEIQ [IARC] | MFCD00012415 | CATHINONE [INCB:GREEN LIST] | 1,5-Cyclooctadiene Rhodium(I) Chloride Dimer |

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Overview

Easy to absorb moisture. Microsoluble in most common solvents. Insoluble in water.

Product class
M-C, Homogeneous Catalysts, Diene/Dienyl Ligands

Reaction type
Hydrogenation, Asymmetric Reactions, CH-Activation, Carbonylation, Hydroformylation, Asymmetric Hydrogenation, Isomerization, Oxidation

Chemical properties

Chemical formula

C16H24Cl2Rh2

Empirical formula

[Rh(cod)Cl]2

Molecular weight

493.08

Metal

Rh

Theoretical metal content

41

Physical state

powder

Color

yellow

Specifications

Synonyms

Chiralyst P493 | Rhodium, di-.mu.-chlorobis[(1, 2, 5, 6-.eta.)-1, 5-cyclooctadiene]di- | Rhodium, di-mu-chlorobis[(1, 2, 5, 6-eta)-1, 5-cyclooctadiene]di- | MEIQ [IARC] | MFCD00012415 | CATHINONE [INCB:GREEN LIST] | 1, 5-Cyclooctadiene Rhodium(I) Chloride Dimer |

Specifications & Purity

RH 41.7%

Storage

Store at 2-8°C, Desiccated

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Names and Identifiers

• Canonical Smiles: C1CC=CCCC=C1.C1CC=CCCC=C1.[Cl-].[Cl-].[Rh].[Rh]
• IUPAC Name: (1Z,5Z)-cycloocta-1,5-diene;rhodium;dichloride
• InChIKey: PDJQCHVMABBNQW-MIXQCLKLSA-L
• INCHI: 1S/2C8H12.2ClH.2Rh/c2*1-2-4-6-8-7-5-3-1;;;;/h2*1-2,7-8H,3-6H2;2*1H;;/p-2/b2*2-1-,8-7-
• Isomeric SMILES: C1/C=C\CC/C=C\C1.C1/C=C\CC/C=C\C1.[Cl-].[Cl-].[Rh].[Rh]
• WGK Germany: 3
• PubChem CID: 6436379
• Molecular Weight: 493.08
• Reaxy-Rn: 14860700

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Hydrocarbons
    • Class Unsaturated hydrocarbons
      • Subclass Olefins
        • Level5 Cyclic olefins
          • Level6 Cycloalkenes

• Kingdom: Organic compounds
• Superclass: Hydrocarbons
• Class: Unsaturated hydrocarbons
• Subclass: Olefins
• Intermediate Tree Nodes: Cyclic olefins
• Direct Parent: Cycloalkenes
• Alternative Parents: Organic transition metal salts Unsaturated aliphatic hydrocarbons Organic chloride salts Hydrocarbon derivatives Organic anions
• Molecular Framework: Not available
• Substituents: Organic transition metal salt - Cycloalkene - Unsaturated aliphatic hydrocarbon - Hydrocarbon derivative - Organic chloride salt - Organic anion - Aliphatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as cycloalkenes. These are unsaturated monocyclic hydrocarbons having one endocyclic double bond.
• 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: Hygroscopic.
• Melt Point(°C): 243°C
• Molecular Weight: 493.100 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 491.936 Da
• Monoisotopic Mass: 491.936 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 20
• Formal Charge: -2
• Complexity: 72.600
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 4
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 4
• Covalently-Bonded Unit Count: 6

XLogP3

References

1. Changpo Ma, Ying Lai, Tiange Zhao, Xiaoxuan Zhang, Haichao Liu, Weiran Yang.  (2024)  Direct synthesis of α,ω-dicarboxylic acids via dicarbonylation of cyclic ethers.  CHINESE JOURNAL OF CATALYSIS,      [PMID:] [10.1016/S1872-2067(23)64577-2]