Rhodium(II) triphenylacetate dimer(Rh2(TPA)4) - ≥99% , CAS No.142214-04-8

CAS: 142214-04-8 Cat. No.: R167247 Molecular Weight: 1440.07

GRADE & PURITY ≥99%

Synonyms

Dirhodium(II) Tetrakis(triphenylacetate) Dichloromethane Adduct | Rhodium(II) Bis(triphenylacetate) Dimer Dichloromethane Adduct | Rh2(TPA)4 Dichloromethane Adduct | Rh2(TPA)4 | Rh2(triphenylacetate)4

Storage

Argon charged,Room temperature

Shipped In

Normal

Overview

Catalyst for:
Amination of allene carbamates
Allene aziridination to stereoselectively prepare cyclic cabamates
C-H bond nitrene insertion
Enantioselective cyclopropanation
Preparation of cyclic oxonium ylides

Specifications

Synonyms

Dirhodium(II) Tetrakis(triphenylacetate) Dichloromethane Adduct | Rhodium(II) Bis(triphenylacetate) Dimer Dichloromethane Adduct | Rh2(TPA)4 Dichloromethane Adduct | Rh2(TPA)4 | Rh2(triphenylacetate)4

Specifications & Purity

≥99%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥99%

Names and Identifiers

• Pubchem Sid: 504772130
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504772130
• Canonical Smiles: C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)C(=O)[O-].C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)C(=O)[O-].C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)C(=O)[O-].[Rh+3]
• IUPAC Name: rhodium(3+);2,2,2-triphenylacetate
• InChIKey: LJIVYHNRWSWCRU-UHFFFAOYSA-K
• INCHI: 1S/3C20H16O2.Rh/c3*21-19(22)20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;/h3*1-15H,(H,21,22);/q;;;+3/p-3
• Isomeric SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)C(=O)[O-].C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)C(=O)[O-].C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)C(=O)[O-].[Rh+3]
• Alternate CAS: 68803-79-2
• Molecular Weight: 1440.07

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Triphenyl compounds

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Triphenyl compounds
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Triphenyl compounds
• Alternative Parents: Benzene and substituted derivatives Carboxylic acid salts Organic transition metal salts Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic cations
• Molecular Framework: Not available
• Substituents: Triphenyl compound - Monocyclic benzene moiety - Carboxylic acid salt - Organic transition metal salt - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organooxygen compound - Carbonyl group - Organic cation - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as triphenyl compounds. These are aromatic compounds containing a triphenyl moiety.
• 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

• Molecular Weight: 964.900 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 9
• Exact Mass: 964.227 Da
• Monoisotopic Mass: 964.227 Da
• Topological Polar Surface Area: 120.000 Ų
• Heavy Atom Count: 67
• Formal Charge: 0
• Complexity: 307.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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: 4

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