bis(cycloocta-1,5-diene); bis(rhodiumol)

• ChemBase ID: 140760
• Molecular Formular: C16H26O2Rh2
• Molecular Mass: 456.18744
• Monoisotopic Mass: 456.00428807
• SMILES: C1C=CCCC=CC1.C1C=CCCC=CC1.O[Rh].O[Rh]
• Canonical SMILES: C1CC=CCCC=C1.C1CC=CCCC=C1.[Rh]O.[Rh]O
• InChI: InChI=1S/2C8H12.2H2O.2Rh/c2*1-2-4-6-8-7-5-3-1;;;;/h2*1-2,7-8H,3-6H2;2*1H2;;/q;;;;2*+1/p-2
• InChIKey: IUAQXTGDGDIMOD-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(cycloocta-1,5-diene); bis(rhodiumol)
• IUPAC Traditional name: bis(1,5-cyclooctadiene); bis(rhodiumol)
• Synonyms: (Cyclooctadiene)rhodium hydroxide dimer; 1,5-Cyclooctadiene)hydroxyrhodium dimer; Bis(cyclooctadiene)dihydroxodirhodium; Bis[(1,2,5,6-η)-1,5-cyclooctadiene]di--μ-hydroxydirhodium; Bis[(1,5-cyclooctadiene)(hydroxy)rhodium]; [Rh(OH)(1,5-cod)]2; Hydroxy(cyclooctadiene)rhodium(I) dimer; 羟基(环辛二烯)铑(I) 二聚体

Database IDs

• CAS Number: 73468-85-6
• MDL Number: MFCD08457638
• PubChem SID: 162235000; 24884496
• PubChem CID: 11144911

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.832706
• LogD (pH = 7.4): 2.832706
• Log P: 2.832706
• Molar Refractivity: 39.0412 cm^3
• Polarizability: 14.319889 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 199 °C (dec.)

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: 95%
• Empirical Formula (Hill Notation): C16H26O2Rh2

DETAILS

Sigma Aldrich - 661023

Application
Rhodium catalyst employed with R-BINAP or R-SEGPHOS® ligands in a synthesis of chiral 3,3-disubstituted-1-indanones.1
Efficient and Selective Catalysts for Asymmetric Synthesis
Packaging
1 g in glass bottle
250 mg in glass bottle
Legal Information
SEGPHOS is a registered trademark of Takasago Intl. Corp.