RuCl₂[(R)-DM-BINAP][(R,R)-DPEN] - ≥95% , CAS No.220114-38-5

CAS: 220114-38-5 Cat. No.: R138507 Molecular Weight: 1119.15 EC Number: 811-493-4 PubChem CID: 16220282

GRADE & PURITY ≥95%

Synonyms

MFCD09753028 | Dichloro{(R)-(+)-2,2'-bis[di(3,5-xylyl)phosphino]-1,1'-binaphthyl}[(1R,2R)-(+)-1,2-diphenylethylenediamine]ruthenium(II), RuCl2[(R)-xylbinap][(R,R)-dpen] | SC10172 | VIA11438 | T72098 | Dichloro{(R)-(+)-2,2'-bis[di(3,5-xylyl)phosphino]-1,1'

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

The product is a bis-naphthalene containing phosphine ligand, in conjugation with a ruthenium complex.

Specifications

Synonyms

MFCD09753028 | Dichloro{(R)-(+)-2, 2'-bis[di(3, 5-xylyl)phosphino]-1, 1'-binaphthyl}[(1R, 2R)-(+)-1, 2-diphenylethylenediamine]ruthenium(II), RuCl2[(R)-xylbinap][(R, R)-dpen] | SC10172 | VIA11438 | T72098 | Dichloro{(R)-(+)-2, 2'-bis[di(3, 5-xylyl)phosphino]-1, 1'

Specifications & Purity

≥95%

Storage

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.

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 504768417
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504768417
• Canonical Smiles: 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.C1=CC=C(C=C1)C(C(C2=CC=CC=C2)N)N.Cl[Ru]Cl
• IUPAC Name: [1-[2-bis(3,5-dimethylphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(3,5-dimethylphenyl)phosphane;dichlororuthenium;(1R,2R)-1,2-diphenylethane-1,2-diamine
• InChIKey: HYMSONXJNGZZBM-ODQAEMFESA-L
• INCHI: 1S/C52H48P2.C14H16N2.2ClH.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;15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12;;;/h9-32H,1-8H3;1-10,13-14H,15-16H2;2*1H;/q;;;;+2/p-2/t;13-,14-;;;/m.1.../s1
• Isomeric SMILES: 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.C1=CC=C(C=C1)[C@H]([C@@H](C2=CC=CC=C2)N)N.Cl[Ru]Cl
• WGK Germany: 3
• PubChem CID: 16220282
• Molecular Weight: 1119.15

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: Stilbenes Naphthalenes m-Xylenes Aralkylamines Organic phosphines and derivatives Organic transition metal salts Organic metal halides Organic chloride salts Monoalkylamines Hydrocarbon derivatives Organic cations
• Molecular Framework: Not available
• Substituents: Triphenylphosphine - Stilbene - Naphthalene - M-xylene - Xylene - Phenylphosphine - Aralkylamine - Phosphine - Organic metal halide - Organic metal salt - Organic transition metal salt - Amine - Primary aliphatic amine - Primary amine - Organic salt - Organic chloride salt - Organophosphorus compound - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic cation - 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

Data sources

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

Chemical and Physical Properties

• Sensitivity: air sensitive,Moisture sensitive
• Molecular Weight: 1119.100 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 10
• Exact Mass: 1118.3 Da
• Monoisotopic Mass: 1118.3 Da
• Topological Polar Surface Area: 52.000 Ų
• Heavy Atom Count: 73
• Formal Charge: 0
• Complexity: 1170.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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

XLogP3

References

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