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(S)-RuCl[(p-cymene(BINAP)]Cl - 99.95% metals basis, high purity , CAS No.130004-33-0

COA

Grade & Purity:

≥99.95% metals basis

Cas Number: 130004-33-0
Molecular Weight: 928.87
MDL number: MFCD00134456
PubChem CID: 11147374
PubChem SID: 504766074

In stock

Item Number

S294487

Grouped product items
SKU	Size	Availability	Price	Qty
S294487-100mg	100mg	2	$68.90
S294487-500mg	500mg	2	$247.90

View related series

asymmetric synthesis (590) Transition metal compounds (230)

Basic Description

Synonyms	130004-33-0 \| 145926-28-9 \| (R)-RuCl[(p-cymene)(BINAP)]Cl \| (S)-RuCl[(p-cymene(BINAP)]Cl \| Chloro[(R)-(+)-2,2'-bis(diphenylphosphino)-1,1'-binaphthyl](p-cymene)ruthenium(II) Chloride \| (R)-(+)-2,2'-BIS(DIPHENYLPHOSPHINO)-1,1'-BINAPHTHALENECHLORO(P-CYMENE)RUTHENIUM
Specifications & Purity	≥99.95% metals basis
Legal Information	Product of Umicore
Storage Temp	Store at 2-8°C,Argon charged
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	Product class M-P, Homogeneous Catalysts, M-C, Arene/Aryl Ligands, Phosphorus Ligands - Chiral Reaction type Hydrogenation, Asymmetric Reactions, Asymmetric Hydrogenation, Transfer Hydrogenation Chemical properties Chemical formula C54H46Cl2P2Ru Empirical formula [RuCl(p-cymene)(S)-BINAP)]Cl Molecular weight 928.88 Metal Ru Theoretical metal content 11 Physical state powder Color Metal purity red orange 99.95 Applications & references Synthesis of (R)- or (S)-4-halo-3-hydroxybuyrate ester by asymmetric hydrogenation of 4-halo-3-oxobutanoate ester; this reaction can be applied in the Producteion of L-carnitine. Reference: EP2386536 Enantioselective hydrogenation of functionalized ketones. Reference: EP0366390 Asymmetric hydrogenation of halogenated acetophenones to enantiomerically pure halogenated phenyl ethanol derivatives. Reference: Cat. Lett. 1996, 41, 111 (DOI: 10.1007/BF00811721) Highly enantioselective catalytic hydrogenation of methyl-N-tertbutyl-3-oxoglutarate as a key step in the total synthesis of rovastatin. Reference: Tetrah. Lett. 2008, 49, 4836 (DOI: 10.1016/j.tetlet.2008.06.018) Enantioselective hydrogenation of 4-(hydroxymethyl)furan-2(5H)-one derivatives. Reference: J. Mol. Cat. A: Chem. 2006, 259, 103 (DOI: 10.1016/j.molcata.2006.05.066)

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Phenylphosphines and derivatives

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Phenylphosphines and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Phenylphosphines and derivatives
Alternative Parents	Naphthalenes Aromatic monoterpenoids Phenylpropanes Cumenes Toluenes Aromatic hydrocarbons Organic phosphines and derivatives Organic transition metal salts Organic metal halides Unsaturated hydrocarbons Organic chloride salts Hydrocarbon derivatives Organic cations
Molecular Framework	Not available
Substituents	Triphenylphosphine - P-cymene - Aromatic monoterpenoid - Monoterpenoid - Naphthalene - Cumene - Phenylpropane - Toluene - Phenylphosphine - Aromatic hydrocarbon - Phosphine - Organic metal halide - Organic metal salt - Organic transition metal salt - Organic salt - Organophosphorus compound - Hydrocarbon derivative - Unsaturated hydrocarbon - Organic chloride salt - Organic cation - Hydrocarbon - Aromatic homopolycyclic compound
Description	This compound belongs to the class of organic compounds known as phenylphosphines and derivatives. These are compounds containing a phenylphosphine, which consists of phosphine substituent bound to a phenyl group.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

Pubchem Sid	504766074
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504766074
IUPAC Name	dichlororuthenium;[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;1-methyl-4-propan-2-ylbenzene
INCHI	InChI=1S/C44H32P2.C10H14.2ClH.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;1-8(2)10-6-4-9(3)5-7-10;;;/h1-32H;4-8H,1-3H3;2*1H;/q;;;;+2/p-2
InChIKey	WNHLGYRPKARUHY-UHFFFAOYSA-L
Smiles	CC1=CC=C(C=C1)C(C)C.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=C(C4=CC=CC=C4C=C3)C5=C(C=CC6=CC=CC=C65)P(C7=CC=CC=C7)C8=CC=CC=C8.Cl[Ru]Cl
Isomeric SMILES	CC1=CC=C(C=C1)C(C)C.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=C(C4=CC=CC=C4C=C3)C5=C(C=CC6=CC=CC=C65)P(C7=CC=CC=C7)C8=CC=CC=C8.Cl[Ru]Cl
WGK Germany	3
PubChem CID	11147374
Molecular Weight	928.87

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

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Analytical Chart:

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2 results found

Lot Number	Certificate Type	Date	Item
E2315010	Certificate of Analysis	May 19, 2023	S294487
E2315021	Certificate of Analysis	May 18, 2023	S294487

Chemical and Physical Properties

Sensitivity	Air & Moisture sensitive
Molecular Weight	928.900 g/mol
XLogP3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	8
Exact Mass	928.15 Da
Monoisotopic Mass	928.15 Da
Topological Polar Surface Area	0.000 Å²
Heavy Atom Count	59
Formal Charge	0
Complexity	886.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	3

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