[RuCl(p-cymene)((R)-xylbinap)]Cl

• CAS: 944451-24-5
• Catalog Number: ACM944451245
• Category: Ruthenium series catalysts
• Molecular Weight: 1041.096g/mol
• Molecular Formula: C62H62Cl2P2Ru
• Synonyms: CHLORO[(S)-(-)-2,2'-BIS[DI(3,5-XYLYL)PHOSPHINO]-1,1'-BINAPHTHYL](P-CYMENE)RUTHENIUM(II) CHLORIDE; CBZXDZCPCDMKJU-UHFFFAOYSA-L; [RuCl(p-cymene) ((S)-xylbinap)]Cl; Chloro{(R)-(+)-2,2'-bis[di(3,5-xylyl)phosphino]-1,1'-binaphthyl}(p-cymene)ruthenium(II) chloride, [RuCl(p-cymene)((R)-xylbinap)]Cl; [1-[2-bis(3,5-dimethylphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(3,5-dimethylphenyl)phosphane,dichlororuthenium,1-methyl-4-propan-2-ylbenzene; Chloro{(S)-(-)-2,2'-bis[di(3,5-xylyl)phosphino]-1,1'-binaphthyl}(p-cymene)ruthenium(II) chloride; SC10125; (R)-RuCl[(p-cymene)(DM-BINAP)]Cl
• IUPAC Name: [1-[2-bis(3,5-dimethylphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(3,5-dimethylphenyl)phosphane;dichlororuthenium;1-methyl-4-propan-2-ylbenzene
• Canonical SMILES: CC1=CC=C(C=C1)C(C)C.CC1=CC(=CC(=C1)P(C2=C(C3=CC=CC=C3C=C2)C4=C(C=CC5=CC=CC=C54)P(C6=CC(=CC(=C6)C)C)C7=CC(=CC(=C7)C)C)C8=CC(=CC(=C8)C)C)C.Cl[Ru]Cl
• InChI: InChI=1S/C52H48P2.C10H14.2ClH.Ru/c1-33-21-34(2)26-43(25-33)53(44-27-35(3)22-36(4)28-44)49-19-17-41-13-9-11-15-47(41)51(49)52-48-16-12-10-14-42(48)18-20-50(52)54(45-29-37(5)23-38(6)30-45)46-31-39(7)24-40(8)32-46;1-8(2)10-6-4-9(3)5-7-10;;;/h9-32H,1-8H3;4-8H,1-3H3;2*1H;/q;;;;+2/p-2
• InChI Key: CBZXDZCPCDMKJU-UHFFFAOYSA-L
• Application: Ligand used in the asymmetric hydrogenation of amino ketones.
• Storage: 2-8°C
• Complexity: 1090
• Covalently-Bonded Unit Count: 3
• Exact Mass: 1040.275g/mol
• Heavy Atom Count: 67
• Monoisotopic Mass: 1040.275g/mol
• Rotatable Bond Count: 8
• Topological Polar Surface Area: 0A^2

Custom Q&A

What is the molecular formula of the compound with PubChem CID 91972161?

The molecular formula is C62H62Cl2P2Ru.

What is the molecular weight of the compound?

The molecular weight is 1041.1 g/mol.

What are some synonyms of the compound?

Some synonyms include 944451-24-5 [RUCL(P-CYMENE)((R)-XYLBINAP)]CL CHLORO[(R)-(+)-2,2'-BIS[DI(3,5-XYLYL)PHOSPHINO]-1,1'-BINAPHTHYL](P-CYMENE)RUTHENIUM(II) CHLORIDE.

When was the compound created and last modified?

The compound was created on 2015-11-02 and last modified on 2023-12-30.

What is the IUPAC Name of the compound?

The IUPAC Name is [1-[2-bis(3,5-dimethylphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(3,5-dimethylphenyl)phosphane;1-methyl-4-propan-2-ylbenzene;ruthenium(2+);dichloride.

What is the InChIKey of the compound?

The InChIKey is CBZXDZCPCDMKJU-UHFFFAOYSA-L.

How many hydrogen bond acceptor counts does the compound have?

The compound has 2 hydrogen bond acceptor counts.

What is the exact mass of the compound?

The exact mass is 1040.274722 g/mol.

How many rotatable bond counts does the compound have?

The compound has 8 rotatable bond counts.

Is the compound canonicalized?

Yes, the compound is canonicalized.

What is the molecular formula of the compound represented by PubChem CID 91972161?

The molecular formula is C62H62Cl2P2Ru.

What are the synonyms for PubChem CID 91972161?

Synonyms include Chloro[(R)-(+)-2,2'-bis[di(3,5-xylyl)phosphino]-1,1'-binaphthyl](p-cymene)ruthenium(II) chloride and more.

How was the IUPAC name computed for this compound?

The IUPAC name was computed using [1-[2-bis(3,5-dimethylphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(3,5-dimethylphenyl)phosphane;1-methyl-4-propan-2-ylbenzene;ruthenium(2+);dichloride.

What is the InChIKey for this compound?

The InChIKey is CBZXDZCPCDMKJU-UHFFFAOYSA-L.

Is the compound considered canonicalized?

Yes, the compound is considered canonicalized.

How many covalently-bonded unit counts does the compound have?

The compound has 5 covalently-bonded unit counts.