[RuCl(p-cymene)((S)-tolbinap)]Cl

• CAS: 228120-95-4
• Catalog Number: ACM228120954
• Category: Ruthenium series catalysts
• Molecular Weight: 984.988g/mol
• Molecular Formula: C58H54Cl2P2Ru
• Synonyms: SC10123; (R)-RuCl[(p-cymene)(T-BINAP)]Cl; Chloro[(R)-(+)-2,2 -bis(di-p-tolylphosphino)-1; CHLORO[(S)-(-)-2,2'-BIS(DI-P-TOLYLPHOSPHINO)-1,1'-BINAPHTHYL](P-CYMENE)RUTHENIUM(II) CHLORIDE; MFCD09753014; (S)-RuCl[(p-cymene)(T-BINAP)]Cl; C58H54Cl2P2Ru
• IUPAC Name: [1-[2-bis(4-methylphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(4-methylphenyl)phosphane;dichlororuthenium;1-methyl-4-propan-2-ylbenzene
• SMILES: CC1=CC=C(C=C1)C(C)C.CC1=CC=C(C=C1)P(C2=CC=C(C=C2)C)C3=C(C4=CC=CC=C4C=C3)C5=C(C=CC6=CC=CC=C65)P(C7=CC=C(C=C7)C)C8=CC=C(C=C8)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
• InChI Key: BHIUOOHVIWKUTN-UHFFFAOYSA-L
• Application: 1. Useful ligand for palladium-catalyzed carbon-oxygen bond formation.; ; 2. Ligand for palladium-catalyzed α-arylation of ketones.; ; 3. Ligand for Cu-catalyzed asymmetric conjugate reduction.; ; 4. Ligand for Cu-catalyzed asymmetric dienolate addition to aldehydes.; ; 5. Enantioselective conjugate reduction of lactones and lactams.; ; 6. Ligand used in the enantioselective cycloaddition of allenylsilanes with α-Imino esters.; ; 7. Catalytic Aldol reaction to ketones.; ; 8. Ligand with rhodium catalyses [2+2+2] cycloaddition reaction of alkenes and alkynes.; ; 9. Ligand used in the iridium-catalyzed enantioselective C-H bond activation of 2-(alkylamino)-pyridine with alkenes.; ; 10. Iridium-catalyzed regio-, diastereo-, and enantioselective tert-(hydroxyl)-prenylation of alcohols.; ; 11. Rhodium-catalyzed cross cyclotrimerization.
• Storage: 2-8°C
• Complexity: 986
• Covalently-Bonded Unit Count: 3
• Exact Mass: 984.212g/mol
• Heavy Atom Count: 63
• Monoisotopic Mass: 984.212g/mol
• Rotatable Bond Count: 8
• Topological Polar Surface Area: 0A^2

Custom Q&A

What is the PubChem CID of the compound [RuCl(p-cymene)((S)-tolbinap)]Cl?

The PubChem CID of the compound [RuCl(p-cymene)((S)-tolbinap)]Cl is 72376323.

What is the molecular formula of [RuCl(p-cymene)((S)-tolbinap)]Cl?

The molecular formula of [RuCl(p-cymene)((S)-tolbinap)]Cl is C58H54Cl2P2Ru.

What is the molecular weight of [RuCl(p-cymene)((S)-tolbinap)]Cl?

The molecular weight of [RuCl(p-cymene)((S)-tolbinap)]Cl is 985.0 g/mol.

What are the synonyms of [RuCl(p-cymene)((S)-tolbinap)]Cl?

The synonyms of [RuCl(p-cymene)((S)-tolbinap)]Cl include 228120-95-4, 131614-43-2, [RUCL(P-CYMENE)((S)-TOLBINAP)]CL, CHLORO[(S)-(-)-2,2'-BIS(DI-P-TOLYLPHOSPHINO)-1,1'-BINAPHTHYL](P-CYMENE)RUTHENIUM(II) CHLORIDE, and [RuCl(p-cymene)((R)-tolbinap)].

What is the IUPAC name of [RuCl(p-cymene)((S)-tolbinap)]Cl?

The IUPAC name of [RuCl(p-cymene)((S)-tolbinap)]Cl is [1-[2-bis(4-methylphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(4-methylphenyl)phosphane;dichlororuthenium;1-methyl-4-propan-2-ylbenzene.

What is the InChI of [RuCl(p-cymene)((S)-tolbinap)]Cl?

The InChI of [RuCl(p-cymene)((S)-tolbinap)]Cl is 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.

What is the Canonical SMILES of [RuCl(p-cymene)((S)-tolbinap)]Cl?

The Canonical SMILES of [RuCl(p-cymene)((S)-tolbinap)]Cl is CC1=CC=C(C=C1)C(C)C.CC1=CC=C(C=C1)P(C2=CC=C(C=C2)C)C3=C(C4=CC=CC=C4C=C3)C5=C(C=CC6=CC=CC=C65)P(C7=CC=C(C=C7)C)C8=CC=C(C=C8)C.Cl[Ru]Cl.

What is the CAS number of [RuCl(p-cymene)((S)-tolbinap)]Cl?

The CAS number of [RuCl(p-cymene)((S)-tolbinap)]Cl is 228120-95-4.

What is the molecular weight of [1-[2-bis(4-methylphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(4-methylphenyl)phosphane;dichlororuthenium;1-methyl-4-propan-2-ylbenzene?

The molecular weight of [1-[2-bis(4-methylphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(4-methylphenyl)phosphane;dichlororuthenium;1-methyl-4-propan-2-ylbenzene is not provided in the reference.

What is the EC number of [RuCl(p-cymene)((S)-tolbinap)]Cl?

The EC number of [RuCl(p-cymene)((S)-tolbinap)]Cl is 812-415-1.

What is the InChIKey of [RuCl(p-cymene)((S)-tolbinap)]Cl?

The InChIKey is BHIUOOHVIWKUTN-UHFFFAOYSA-L.

What is the European Community (EC) number of [RuCl(p-cymene)((S)-tolbinap)]Cl?

The EC number is 812-415-1.

What is the hydrogen bond donor count of [RuCl(p-cymene)((S)-tolbinap)]Cl?

The hydrogen bond donor count is 0.

What is the rotatable bond count of [RuCl(p-cymene)((S)-tolbinap)]Cl?

The rotatable bond count is 8.