(1-{2-[bis(4-methylphenyl)phosphanyl]naphthalen-1-yl}naphthalen-2-yl)bis(4-methylphenyl)phosphane 1-methyl-4-(propan-2-yl)benzene chlororutheniumylium chloride

• ChemBase ID: 140864
• Molecular Formular: C58H54Cl2P2Ru
• Molecular Mass: 984.972882
• Monoisotopic Mass: 984.21212935
• SMILES: Cc1ccc(cc1)P(c1ccc(cc1)C)c1ccc2ccccc2c1c1c2ccccc2ccc1P(c1ccc(cc1)C)c1ccc(cc1)C.Cc1ccc(cc1)C(C)C.[Cl-].Cl[Ru+]
• Canonical SMILES: Cc1ccc(cc1)C(C)C.Cc1ccc(cc1)P(c1ccc2c(c1c1c(ccc3c1cccc3)P(c1ccc(cc1)C)c1ccc(cc1)C)cccc2)c1ccc(cc1)C.Cl[Ru+].[Cl-]
• InChI: InChI=1S/C48H40P2.C10H14.2ClH.Ru/c1-33-13-23-39(24-14-33)49(40-25-15-34(2)16-26-40)45-31-21-37-9-5-7-11-43(37)47(45)48-44-12-8-6-10-38(44)22-32-46(48)50(41-27-17-35(3)18-28-41)42-29-19-36(4)20-30-42;1-8(2)10-6-4-9(3)5-7-10;;;/h5-32H,1-4H3;4-8H,1-3H3;2*1H;/q;;;;+2/p-2
• InChIKey: BHIUOOHVIWKUTN-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-{2-[bis(4-methylphenyl)phosphanyl]naphthalen-1-yl}naphthalen-2-yl)bis(4-methylphenyl)phosphane 1-methyl-4-(propan-2-yl)benzene chlororutheniumylium chloride
• IUPAC Traditional name: (1-{2-[bis(4-methylphenyl)phosphanyl]naphthalen-1-yl}naphthalen-2-yl)bis(4-methylphenyl)phosphane chlororutheniumylium cymene chloride
• Synonyms: Chloro[(R)-(+)-2,2′-bis(di-p-tolylphosphino)-1,1′-binaphthyl](p-cymene)ruthenium(II) chloride; (R)-RuCl[(p-cymene)(T-BINAP)]Cl; Chloro[(S)-(-)-2,2′-bis(di-p-tolylphosphino)-1,1′-binaphthyl](p-cymene)ruthenium(II) chloride; (S)-RuCl[(p-cymene)(T-BINAP)]Cl; 氯[(R)-(+)-2,2′-二(二-对甲苯基膦)-1,1′-联萘](p-伞花素)氯化钌(II); 氯[(S)-(-)-2,2′-二(二-对甲苯基膦)-1,1′-联萘](p-伞花素)氯化钌(II)

Database IDs

• CAS Number: 131614-43-2; 228120-95-4
• PubChem SID: 162235102
• PubChem CID: 71310538

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 13.7242
• LogD (pH = 7.4): 13.7242
• Log P: 13.7242
• Molar Refractivity: 215.3892 cm^3
• Polarizability: 87.70807 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Temperature: 2-8°C

Product Information

• Linear Formula: [C58H54ClP2Ru]+Cl-

DETAILS

Sigma Aldrich - 692506

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

Sigma Aldrich - 692964

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