{1-[2-(diphenylphosphanyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl}diphenylphosphane (acetyloxy)ruthenio acetate

• ChemBase ID: 141010
• Molecular Formular: C48H46O4P2Ru
• Molecular Mass: 849.893962
• Monoisotopic Mass: 850.19148221
• SMILES: CC(=O)O[Ru]OC(=O)C.c1ccc(cc1)P(c1ccccc1)c1ccc2c(c1c1c(ccc3c1CCCC3)P(c1ccccc1)c1ccccc1)CCCC2
• Canonical SMILES: c1ccc(cc1)P(c1ccc2c(c1c1c3CCCCc3ccc1P(c1ccccc1)c1ccccc1)CCCC2)c1ccccc1.CC(=O)O[Ru]OC(=O)C
• InChI: InChI=1S/C44H40P2.2C2H4O2.Ru/c1-5-19-35(20-6-1)45(36-21-7-2-8-22-36)41-31-29-33-17-13-15-27-39(33)43(41)44-40-28-16-14-18-34(40)30-32-42(44)46(37-23-9-3-10-24-37)38-25-11-4-12-26-38;2*1-2(3)4;/h1-12,19-26,29-32H,13-18,27-28H2;2*1H3,(H,3,4);/q;;;+2/p-2
• InChIKey: HZRBASMTZGJUJU-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: {1-[2-(diphenylphosphanyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl}diphenylphosphane (acetyloxy)ruthenio acetate
• IUPAC Traditional name: {1-[2-(diphenylphosphanyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl}diphenylphosphane (acetyloxy)ruthenio acetate
• Synonyms: Diacetato[(S)-(-)-2,2′-bis(diphenylphosphino)-5,5′,6,6′,7,7′,8,8′-octahydro-1,1′-binaphthyl]ruthenium(II); (S)-Ru(OAc)2(H8-BINAP); Diacetato[(R)-2,2′-bis(diphenylphosphino)-5,5′,6,6′,7,7′,8,8′-octahydro-1,1′-binaphthyl]ruthenium(II); (R)-Ru(OAc)2(H8-BINAP); 二乙酸根[(S)-(-)-2,2′-二(二苯基膦基)-5,5′,6,6′,7,7′,8,8′-八氢-1,1′-联萘基]钌(II); 二乙酸根[(R)-(+)-2,2′-二(二苯基膦基)-5,5′,6,6′,7,7′,8,8′-八氢-1,1′-联萘基]钌(II)

Database IDs

• CAS Number: 142962-95-6; 374067-51-3
• MDL Number: MFCD09753023
• PubChem SID: 162235246
• PubChem CID: 11007391

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 12.297
• LogD (pH = 7.4): 12.297
• Log P: 12.297
• Molar Refractivity: 197.2884 cm^3
• Polarizability: 78.32092 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37
• Safety Statements: 26
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• Storage Temperature: 2-8°C

Product Information

• Empirical Formula (Hill Notation): C48H46O4P2Ru

DETAILS

Sigma Aldrich - 693278

Packaging
50, 100 mg in glass bottle
Legal Information
Sold in collaboration with Takasago for research purposes only.
Application
Takasago Ligands and Complexes for Asymmetric Reactions
Catalyst for:
• Enantioselective asymmetric hydrogenation reactions

Sigma Aldrich - 692166

Packaging
50, 100 mg in glass bottle
Legal Information
Sold in collaboration with Takasago for research purposes only.
Application
Takasago Ligands and Complexes for Asymmetric Reactions