Grubbs Catalyst M207 - ≥99.95% metals basis , CAS No.253688-91-4

CAS: 253688-91-4 Cat. No.: G283841 Molecular Weight: 826.97 EC Number: 692-990-1 PubChem CID: 11343397

GRADE & PURITY ≥99.95% metals basis

Synonyms

253688-91-4|CID 11343397|Dichloro[1,3-bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene](3-methyl-2-butenylidene) (tricyclohexylphosphine)ruthenium(II)|Grubbs Catalyst C827|[1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ylidene]-dichloro-(3-methylbut-2-enyl

Storage

Store at 2-8°C

Shipped In

Wet ice

Overview

Application

A general purpose olefin metathesis catalyst similar in reactivity to Grubbs Catalyst® 2nd Generation.

Product class

M-P, Homogeneous Catalysts, M-C, Grubbs Catalyst® 2nd Generation, Carbene Ligands, Phosphorus Ligands - Achiral

Reaction type

Alkene Metathesis, Acyclic Diene Metathesis, Cross Metathesis, Ring Arrangement Metathesis , Ring Closing Metathesis, Ring Opening Metathesis, Ring Opening Metathesis Polymerization, Self Metathesis.

Chemical properties

Chemical formula

C44H67Cl2N2PRu

Empirical formula

(SIMes)Ru(PCy3)(butenylidene)Cl2

Molecular weight

826.97

Metal

Ru

Theoretical metal content

12

Physical state

powder

Color

brown

Metal purity

99.95

Specifications

Synonyms

253688-91-4 | CID 11343397 | Dichloro[1, 3-bis(2, 4, 6-trimethylphenyl)-2-imidazolidinylidene](3-methyl-2-butenylidene) (tricyclohexylphosphine)ruthenium(II) | Grubbs Catalyst C827 | [1, 3-bis(2, 4, 6-trimethylphenyl)imidazolidin-2-ylidene]-dichloro-(3-methylbut-2-enyl

Specifications & Purity

≥99.95% metals basis

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

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥99.95% metals basis

Names and Identifiers

• Canonical Smiles: CC1=CC(=C(C(=C1)C)N2CCN(C2=[Ru](=CC=C(C)C)(Cl)Cl)C3=C(C=C(C=C3C)C)C)C.C1CCC(CC1)P(C2CCCCC2)C3CCCCC3
• IUPAC Name: [1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ylidene]-dichloro-(3-methylbut-2-enylidene)ruthenium;tricyclohexylphosphane
• InChIKey: LCOFYVWULBZOTA-UHFFFAOYSA-L
• INCHI: 1S/C21H26N2.C18H33P.C5H8.2ClH.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;1-4-5(2)3;;;/h9-12H,7-8H2,1-6H3;16-18H,1-15H2;1,4H,2-3H3;2*1H;/q;;;;;+2/p-2
• Isomeric SMILES: CC1=CC(=C(C(=C1)C)N2CCN(C2=[Ru](=CC=C(C)C)(Cl)Cl)C3=C(C=C(C=C3C)C)C)C.C1CCC(CC1)P(C2CCCCC2)C3CCCCC3
• WGK Germany: 3
• PubChem CID: 11343397
• Molecular Weight: 826.97

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Azolidines
      • Subclass Imidazolidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Azolidines
• Subclass: Imidazolidines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylimidazolidines
• Alternative Parents: Aniline and substituted anilines Organic phosphines and derivatives Organic transition metal salts Azacyclic compounds Organotransition metal compounds Hydrocarbon derivatives Amines
• Molecular Framework: Not available
• Substituents: Phenylimidazolidine - Aniline or substituted anilines - Monocyclic benzene moiety - Benzenoid - Phosphine - Azacycle - Organic metal salt - Organic transition metal salt - Organophosphorus compound - Organonitrogen compound - Organometallic compound - Organic transition metal moeity - Hydrocarbon derivative - Amine - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylimidazolidines. These are polycyclic compounds containing an imidazoline substituted by 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

• Molecular Weight: 827.000 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 826.346 Da
• Monoisotopic Mass: 826.346 Da
• Topological Polar Surface Area: 6.500 Ų
• Heavy Atom Count: 50
• Formal Charge: 0
• Complexity: 923.000
• 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

XLogP3