tetrakis(azepan-2-one); dirhodium

• ChemBase ID: 143356
• Molecular Formular: C24H44N4O4Rh2
• Molecular Mass: 658.44156
• Monoisotopic Mass: 658.14726391
• SMILES: C1CCC(=O)NCC1.C1CCC(=O)NCC1.C1CCC(=O)NCC1.C1CCC(=O)NCC1.[Rh][Rh]
• Canonical SMILES: O=C1CCCCCN1.O=C1CCCCCN1.O=C1CCCCCN1.O=C1CCCCCN1.[Rh][Rh]
• InChI: InChI=1S/4C6H11NO.2Rh/c4*8-6-4-2-1-3-5-7-6;;/h4*1-5H2,(H,7,8)
• InChIKey: SSCZKSBMOZFVCQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tetrakis(azepan-2-one); dirhodium
• IUPAC Traditional name: tetrakis(caprolactam); dirhodium
• Synonyms: Rh2(cap)4; Tetrakis[μ-(hexahydro-2H-azepin-2-onato-κN1,κO2)]dirhodium; Dirhodium tetracaprolactamate; 四[μ-(六氢-2H-氮杂卓-2-酮-κN1,κO2)]二铑; 四己内酰胺二铑

Database IDs

• CAS Number: 138984-26-6
• MDL Number: MFCD00467690
• PubChem SID: 162237576
• PubChem CID: 71310937

CALCULATED PROPERTIES

• Acid pKa: 14.991655
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.30952764
• LogD (pH = 7.4): 0.30952802
• Log P: 0.30952802
• Molar Refractivity: 31.4599 cm^3
• Polarizability: 12.265093 Å^3
• Polar Surface Area: 29.1 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 269-274 °C(lit.)

Safety Information

• German water hazard class: 3

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C24H40N4O4Rh2

DETAILS

Sigma Aldrich - 709026

Application
Catalyst for selective carbenoid reactions of diazo compounds
Packaging
1 g in glass bottle
250 mg in glass bottle