chempirical

(1,3-Bis(2,4,6-trimethylphenyl)imidazolidin-2-ylidene)(dichloro)((2-((propan-2-yl)oxy)phenyl)methylidene)ruthenium

C31H38Cl2N2ORuCAS 301224-40-8626.63 g/mol

Open in Covalent MOL file
NNRuOClCl
EtherTertiary amine

Properties

Molecular formula
C31H38Cl2N2ORu
Molar mass
626.63 g/mol
Exact mass
626.1405 Da
logP
8.05Crippen estimate
Polar surface area
15.7 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
5

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
301224-40-8
SMILES
CC1=CC(=C(C(=C1)C)N2CCN(C2=[Ru](=CC3=CC=CC=C3OC(C)C)(Cl)Cl)C4=C(C=C(C=C4C)C)C)C
InChIKey
ZRPFJAPZDXQHSM-UHFFFAOYSA-L
InChI
InChI=1S/C21H26N2.C10H12O.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;1-8(2)11-10-7-5-4-6-9(10)3;;;/h9-12H,7-8H2,1-6H3;3-8H,1-2H3;2*1H;/q2*-2;;;+6/p-2

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

19 names · show all
  • (Sp-5-41)-[1,3-bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene]dichloro[[2-(1-methylethoxy-κO)phenyl]methylene-κC]ruthenium
  • Ruthenium, [1,3-bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene]dichloro[[2-(1-methylethoxy-κO)phenyl]methylene-κC]-, (SP-5-41)-
  • Hoveyda-Grubbs catalyst
  • [1,3-Bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene]dichloro[[2-(1-methylethoxy-κO)phenyl]methylene-κC]ruthenium
  • [1,3-Bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene] dichloro(o-isopropoxyphenylmethylene)ruthenium
  • Hoveyda-Grubbs second generation catalyst
  • Hoveyda catalyst
  • Grubbs-Hoveyda catalyst
  • Hoveyda-Grubbs catalyst 2nd. generation
  • (1,3-Dimesityl-2-imidazolidinylidene)(o-isopropoxyphenylmethylene)ruthenium dichloride
  • Second-generation Hoveyda catalyst
  • Hoveyda II catalyst
  • Hoveyda-Grubbs 2nd generation catalyst
  • Second generation Hoveyda Grubbs catalyst
  • Grubbs-Hoveyda 2nd generation catalyst
  • Hoveyda second generation catalyst
  • C 627
  • Hoveyda grubbs II catalyst
  • Hoveyda-Grubbs II catalyst

Work with (1,3-Bis(2,4,6-trimethylphenyl)imidazolidin-2-ylidene)(dichloro)((2-((propan-2-yl)oxy)phenyl)methylidene)ruthenium

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Grubbs second generation catalyst246047-72-356 % similar (SP-5-41)-[1,3-Bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene]dichloro(3-phenyl-1H-inden-1-ylidene)(tricyclohexylphosphine)ruthenium536724-67-139 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook