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Merck
CN

686190

Chlorodicarbonyl(1-(isopropylamino)-2,3,4,5-tetraphenylcyclopentadienyl)ruthenium(II)

96%

Synonym(s):

Dicarbonylchloro[(1,2,3,4,5-η)-1-[(1-methylethylamino]-2,3,4,5-tetraphenyl-2,4-cyclopentadien-1-yl]ruthenium

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About This Item

Empirical Formula (Hill Notation):
C34H28ClNO2Ru
CAS Number:
Molecular Weight:
619.11
PubChem Substance ID:
UNSPSC Code:
12161600
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InChI

1S/C32H28N.2CO.ClH.Ru/c1-23(2)33-32-30(26-19-11-5-12-20-26)28(24-15-7-3-8-16-24)29(25-17-9-4-10-18-25)31(32)27-21-13-6-14-22-27;2*1-2;;/h3-23,33H,1-2H3;;;1H;/q;;;;+1/p-1

InChI key

BRMXQWNTLPPMGQ-UHFFFAOYSA-M

SMILES string

[Cl-].[Ru+].[C-]#[O+].[C-]#[O+].CC(C)N[C]1[C]([C]([C]([C]1c2ccccc2)c3ccccc3)c4ccccc4)c5ccccc5

assay

96%

form

powder

reaction suitability

core: ruthenium, reagent type: catalyst

Application

Catalyst for asymmetric:
  • Synthesis of achaetolide
  • Transfer hydrogenation and racemization
  • Total synthesis of stagonolide-C

Reactant for synthesis of air-stable racemization catalysts

Racemization catalyst for dynamic kinetic resolution of secondary alcohols
Metal catalyst used in conjunction with enzymes for enantioselective transformations via dynamic kinetic resolution.

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Warning

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

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Mahn-Joo Kim et al.
Journal of the American Chemical Society, 125(38), 11494-11495 (2003-09-18)
A new procedure for the dynamic kinetic resolution (DKR) of racemic alcohols into single enantiomers is described. This procedure employs surfactant-treated subtilisin as an (S)-selective resolving catalyst and an aminocyclopentadienylruthenium complex as a racemizing catalyst. The DKR is performed best

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