RuCl[(R,R)-Fsdpen](p-cymene)

• CAS: 1026995-71-0
• Catalog Number: ACM1026995710
• Category: Ruthenium series catalysts
• Molecular Weight: 712.138g/mol
• Molecular Formula: C30H28ClF5N2O2RuS
• Synonyms: 1026995-71-0;RuCl[(R,R)-FsDPEN](p-cymene);Chloroaminodiphenylethylpentafluorophenylksulfonyl)amido((p-cymene)ruthenium(II));SCHEMBL1669799;MFCD12545953;RuCl[(R,R)-FsDPEN](p-cymene), 90%;[N-[(1R,2R)-2-(Amino-|EN)-1,2-diphenylethyl]-2,3,4,5,6-pentafluorobenzenesulfonamidato-|EN]chloro[(1,2,3,4,5,6-|C)-1-methyl-4-(1-methylethyl)benzene]-ruthenium;Chloro{[(1R,2R)-(-)-2-amino-1,2-diphenylethyl](4-pentafluorophenylsulfonyl)amido{(p-cymene)ruthenium(II)
• IUPAC Name: [(1R,2R)-2-amino-1,2-diphenylethyl]-(2,3,4,5,6-pentafluorophenyl)sulfonylazanide;chlororuthenium(1+);1-methyl-4-propan-2-ylbenzene
• Canonical SMILES: CC1=CC=C(C=C1)C(C)C.C1=CC=C(C=C1)C(C(C2=CC=CC=C2)[N-]S(=O)(=O)C3=C(C(=C(C(=C3F)F)F)F)F)N.Cl[Ru+]
• InChI: InChI=1S/C20H14F5N2O2S.C10H14.ClH.Ru/c21-13-14(22)16(24)20(17(25)15(13)23)30(28,29)27-19(12-9-5-2-6-10-12)18(26)11-7-3-1-4-8-11;1-8(2)10-6-4-9(3)5-7-10;;/h1-10,18-19H,26H2;4-8H,1-3H3;1H;/q-1;;;+2/p-1/t18-,19-;;;/m1.../s1
• InChI Key: UWFMZLATRGEOIW-ZJPTYAPPSA-M
• Application: Catalyst used in the asymmetric transfer hydrogenation of ketones using formic acid-triethylamine mixture.
• Storage: 2-8°C
• Complexity: 735
• Covalently-Bonded Unit Count: 3
• Defined Atom Stereocenter Count: 2
• Exact Mass: 712.052g/mol
• H-Bond Acceptor: 9
• H-Bond Donor: 1
• Heavy Atom Count: 42
• Monoisotopic Mass: 712.052g/mol
• Rotatable Bond Count: 7
• Topological Polar Surface Area: 69.5A^2

Custom Q&A

What is the molecular formula of RuCl[(R,R)-Fsdpen](p-cymene)?

The molecular formula is C30H28ClF5N2O2RuS.

When was the compound created and last modified?

The compound was created on May 31, 2013, and last modified on December 30, 2023.

What is the molecular weight of RuCl[(R,R)-Fsdpen](p-cymene)?

The molecular weight is 712.1 g/mol.

What are the synonyms of RuCl[(R,R)-Fsdpen](p-cymene)?

Some synonyms include Chloroaminodiphenylethylpentafluorophenylksulfonyl)-amido((p-cymene)ruthenium(II)) and 1-methyl-4-propan-2-ylbenzene.

What are the component compounds of RuCl[(R,R)-Fsdpen](p-cymene)?

The component compounds include Hydrochloric Acid, N-[(1R,2R)-2-Amino-1,2-diphenylethyl]-2,3,4,5,6-pentafluorobenzene-1-sulfonamide, Ruthenium, and p-CYMENE.

What is the IUPAC name of RuCl[(R,R)-Fsdpen](p-cymene)?

The IUPAC name is [(1R,2R)-2-amino-1,2-diphenylethyl]-(2,3,4,5,6-pentafluorophenyl)sulfonylazanide;1-methyl-4-propan-2-ylbenzene;ruthenium(2+);chloride.

What is the InChIKey of RuCl[(R,R)-Fsdpen](p-cymene)?

The InChIKey is UWFMZLATRGEOIW-ZJPTYAPPSA-M.

What is the Canonical SMILES of RuCl[(R,R)-Fsdpen](p-cymene)?

The Canonical SMILES is CC1=CC=C(C=C1)C(C)C.C1=CC=C(C=C1)C(C(C2=CC=CC=C2)[N-]S(=O)(=O)C3=C(C(=C(C(=C3F)F)F)F)F)N.[Cl-].[Ru+2].

What is the European Chemicals Agency (ECHA) number for RuCl[(R,R)-Fsdpen](p-cymene)?

The EC number is 806-978-2.

How many hydrogen bond acceptor counts does RuCl[(R,R)-Fsdpen](p-cymene) have?

It has 10 hydrogen bond acceptor counts.