dichloromethane tris[(triphenylacetyl)oxy]dirhodium-1-yl 2,2,2-triphenylacetate

• ChemBase ID: 143515
• Molecular Formular: C81H62Cl2O8Rh2
• Molecular Mass: 1440.07118
• Monoisotopic Mass: 1438.1931823
• SMILES: c1ccc(cc1)C(c1ccccc1)(c1ccccc1)C(=O)O[Rh](OC(=O)C(c1ccccc1)(c1ccccc1)c1ccccc1)[Rh](OC(=O)C(c1ccccc1)(c1ccccc1)c1ccccc1)OC(=O)C(c1ccccc1)(c1ccccc1)c1ccccc1.C(Cl)Cl
• Canonical SMILES: O=C(C(c1ccccc1)(c1ccccc1)c1ccccc1)O[Rh]([Rh](OC(=O)C(c1ccccc1)(c1ccccc1)c1ccccc1)OC(=O)C(c1ccccc1)(c1ccccc1)c1ccccc1)OC(=O)C(c1ccccc1)(c1ccccc1)c1ccccc1.ClCCl
• InChI: InChI=1S/4C20H16O2.CH2Cl2.2Rh/c4*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;2-1-3;;/h4*1-15H,(H,21,22);1H2;;/q;;;;;2*+2/p-4
• InChIKey: SRAMLXDHXNCYQM-UHFFFAOYSA-J

NAMES AND DATABASE IDS

Names

• IUPAC name: dichloromethane tris[(triphenylacetyl)oxy]dirhodium-1-yl 2,2,2-triphenylacetate
• IUPAC Traditional name: methylene chloride tris[(triphenylacetyl)oxy]dirhodium-1-yl 2,2,2-triphenylacetate
• Synonyms: Rh2(TPA)4; Rh2(triphenylacetate)4; Rhodiumtriphenylacetate; Tetrakis(triphenylacetato)dirhodium(II); Rhodium(II) triphenylacetate dimer; 三苯基乙酸铑; 四(三苯基醋酸基)二铑(II); 三苯基乙酸铑(II)二聚体

Database IDs

• CAS Number: 142214-04-8
• EC Number: 200-838-9
• MDL Number: MFCD15071082
• PubChem SID: 162237734
• PubChem CID: 71310968

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 21.8024
• LogD (pH = 7.4): 21.8024
• Log P: 21.8024
• Molar Refractivity: 346.3264 cm^3
• Polarizability: 142.77298 Å^3
• Polar Surface Area: 105.2 Å^2
• Rotatable Bonds: 25
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 260-263 °C

Safety Information

• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 2
• Risk Statements: 40
• Safety Statements: 23-24/25-36/37
• GHS Pictograms: GHS08
• GHS Signal Word: Warning
• GHS Hazard statements: H351
• GHS Precautionary statements: P281

Product Information

• Empirical Formula (Hill Notation): C80H60O8Rh2 · CH2Cl2

DETAILS

Sigma Aldrich - 725455

Packaging
100 mg in glass bottle
Application
Catalyst for:
• Amination of allene carbamates1
• Allene aziridination to stereoselectively prepare cyclic cabamates2
• C-H bond nitrene insertion3
• Enantioselective cyclopropanation4,5
• Preparation of cyclic oxonium ylides6