{1-[2-(diphenylphosphanyl)naphthalen-1-yl]naphthalen-2-yl}diphenylphosphane (acetyloxy)ruthenio acetate

• ChemBase ID: 141016
• Molecular Formular: C48H38O4P2Ru
• Molecular Mass: 841.830442
• Monoisotopic Mass: 842.12888196
• SMILES: CC(=O)O[Ru]OC(=O)C.c1ccc(cc1)P(c1ccccc1)c1ccc2ccccc2c1c1c2ccccc2ccc1P(c1ccccc1)c1ccccc1
• Canonical SMILES: c1ccc(cc1)P(c1ccc2c(c1c1c(ccc3c1cccc3)P(c1ccccc1)c1ccccc1)cccc2)c1ccccc1.CC(=O)O[Ru]OC(=O)C
• InChI: InChI=1S/C44H32P2.2C2H4O2.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;/h1-32H;2*1H3,(H,3,4);/q;;;+2/p-2
• InChIKey: NMLZYEWNUCRSRJ-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 325146-81-4; 261948-85-0
• MDL Number: MFCD09753020
• PubChem SID: 162235252
• PubChem CID: 11083409

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 11.8554
• LogD (pH = 7.4): 11.8554
• Log P: 11.8554
• Molar Refractivity: 195.2244 cm^3
• Polarizability: 80.66715 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Temperature: 2-8°C

Product Information

• Empirical Formula (Hill Notation): C48H38O4P2Ru

DETAILS

Sigma Aldrich - 693189

Packaging
100, 500 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:
• Synthesis of zaragozic acid D and formal syntheses of zaragozic acids A and C
• Enantioselective synthesis of the spirocyclic C-arylglycopyranoside (+)-papulacandin D via palladium-catalyzed, organosilanolate-based cross-coupling reaction and a Lewis-base catalyzed, enantioselective allylation reaction
• Asymmetric hydrogenation of 2-formyl-1-methylene-1,2,3,4-tetrahydroisoquinoline
• Asymmetric reduction of (nitro)(phenyl)propene
• Asymmetric synthesis of chiral d-lactones via hydrogenation
• Asymmetric hydrogenation of bis(diphenylphosphinoyl)butadiene

Sigma Aldrich - 692220

Packaging
100, 500 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:
• Asymmetric hydrogenation reactions