Grubbs Catalyst® M202为 Dichloro[1,3-bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene](3-phenyl-1H-inden-1-ylidene)(tricyclohexylphosphine)ruthenium(II) - ≥98% , CAS No.536724-67-1

CAS: 536724-67-1 Cat. No.: G283974 Molecular Weight: 949.09 EC Number: 611-032-5 PubChem CID: 72376333

GRADE & PURITY ≥98%

Synonyms

Grubbs Catalyst

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

Applications & references

Cross metathesis of terpenoids.

Reference: WO2012 004414

Preparation of α,ω-diacids starting from methyl oleate via self metathesis.

Reference: WO2010 020368

Cross metathesis of (E)-ethyl 2-isopropylpenta-2,4-dienoate for the synthesis of pharmaceutical active compounds , in particular rennin inhibitors.

Reference: WO2008 155338

Ring closing metathesis in the total synthesis of desoxyepothilone derivatives, which inhibit the growth of tumor cells.

Reference: WO2006 111491

Challenging ring closing metathesis.

Reference: Chem. Eur. J. 2008, 14, 806 (DOI: 10.1002/chem.200701340)

Enyne cycloisomerization.

Reference: Chem. Eur. J. 2008, 14, 806 (DOI: 10.1002/chem.200701340)

Enyne ring closing metathesis.

Reference: Chem. Eur. J. 2008, 14, 806 (DOI: 10.1002/chem.200701340)

Cross metathesis of functionalized alkenes.

Reference: Chem. Eur. J. 2008, 14, 806 (DOI: 10.1002/chem.200701340)

Ring rearrangement metathesis.

Reference: Eur. J. Org. Chem.  2010, 937 (DOI: 10.1002/ejoc.200901316)

Specifications

Synonyms

Grubbs Catalyst

Specifications & Purity

≥98%

Legal Information

This product, its manufacturing or use, is the subject of one or more issued or pending U.S. Patents (and foreign equivalents) owned or controlled by Umicore PMC. The purchase of this product from Umicore PMC through aladdin, its affiliates or their autho

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

≥98%

Names and Identifiers

• Pubchem Sid: 488202318
• Canonical Smiles: CC1=CC(=C(C(=C1)C)N2CCN(C2=[Ru](=C3C=C(C4=CC=CC=C43)C5=CC=CC=C5)(Cl)Cl)C6=C(C=C(C=C6C)C)C)C.C1CCC(CC1)P(C2CCCCC2)C3CCCCC3
• IUPAC Name: [1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ylidene]-dichloro-(3-phenylinden-1-ylidene)ruthenium;tricyclohexylphosphane
• InChIKey: MCNUJWCJGIGFBS-UHFFFAOYSA-L
• INCHI: 1S/C21H26N2.C18H33P.C15H10.2ClH.Ru/c1-14-9-16(3)20(17(4)10-14)22-7-8-23(13-22)21-18(5)11-15(2)12-19(21)6;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)15;;;/h9-12H,7-8H2,1-6H3;16-18H,1-15H2;1-9,11H;2*1H;/q;;;;;+2/p-2
• Isomeric SMILES: CC1=CC(=C(C(=C1)C)N2CCN(C2=[Ru](=C3C=C(C4=CC=CC=C43)C5=CC=CC=C5)(Cl)Cl)C6=C(C=C(C=C6C)C)C)C.C1CCC(CC1)P(C2CCCCC2)C3CCCCC3
• WGK Germany: 3
• PubChem CID: 72376333
• Molecular Weight: 949.09

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Indenes and isoindenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Indenes and isoindenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Indenes and isoindenes
• Alternative Parents: Aniline and substituted anilines Imidazolines Tertiary amines Organic phosphines and derivatives Propargyl-type 1,3-dipolar organic compounds Organic transition metal salts Azacyclic compounds Organotransition metal compounds Hydrocarbon derivatives Organic cations
• Molecular Framework: Not available
• Substituents: Indene - Aniline or substituted anilines - Monocyclic benzene moiety - 2-imidazoline - Phosphine - Tertiary amine - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Azacycle - Organic metal salt - Organic transition metal salt - Organic salt - Organophosphorus compound - Organonitrogen compound - Organometallic compound - Organic transition metal moeity - Amine - Hydrocarbon derivative - Organic nitrogen compound - Organic cation - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as indenes and isoindenes. These are compounds containing an indene moiety(which consists of a cyclopentadiene fused to a benzene ring), or a isoindene moiety (which consists of a cyclopentadiene fused to cyclohexadiene ring).
• 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
• Melt Point(°C): 159 (d)-162 °C
• Molecular Weight: 949.100 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 948.362 Da
• Monoisotopic Mass: 948.362 Da
• Topological Polar Surface Area: 6.500 Ų
• Heavy Atom Count: 60
• Formal Charge: 0
• Complexity: 1240.000
• 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: 2

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