chempirical

Grubbs second generation catalyst

C46H65Cl2N2PRuCAS 246047-72-3848.98 g/mol

Open in Covalent MOL file
NNRuClClP
PhosphineTertiary amine

Properties

Molecular formula
C46H65Cl2N2PRu
Molar mass
848.98 g/mol
Exact mass
848.3306 Da
logP
13.73Crippen estimate
Polar surface area
6.5 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
6

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
246047-72-3
SMILES
CC1=CC(=C(C(=C1)C)N2CCN(C2=[Ru](=CC3=CC=CC=C3)(Cl)Cl)C4=C(C=C(C=C4C)C)C)C.C1CCC(CC1)P(C2CCCCC2)C3CCCCC3
InChIKey
FCDPQMAOJARMTG-UHFFFAOYSA-L
InChI
InChI=1S/C21H26N2.C18H33P.C7H6.2ClH.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;1-7-5-3-2-4-6-7;;;/h9-12H,7-8H2,1-6H3;16-18H,1-15H2;1-6H;2*1H;/q-2;;-2;;;+6/p-2

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Names and synonyms

26 names · show all
  • Ruthenium, [1,3-bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene]dichloro(phenylmethylene)(tricyclohexylphosphine)-, (SP-5-41)-
  • (SP-5-41)-[1,3-Bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene]dichloro(phenylmethylene)(tricyclohexylphosphine)ruthenium
  • Benzylidene(1,3-dimesitylimidazolidin-2-ylidene)(tricyclohexylphosphine)ruthenium dichloride
  • Dichloro(1,3-dimesityl-4,5-dihydroimidazol-2-ylidene)(phenylmethylene)(tricyclohexylphosphine)ruthenium
  • Grubbs' Ru-dihydroimidazolylidene catalyst
  • [1,3-Bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene]dichloro(phenylmethylene)(tricyclohexylphosphine)ruthenium
  • Benzylidenedichloro(1,3-dimesitylimidazolidin-2-ylidene)(tricyclohexylphosphine )ruthenium
  • Grubbs-Herrmann catalyst
  • Grubbs II catalyst
  • Benzylidene[1,3-bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene]dichloro(tricyclohexylphosphine)ruthenium
  • Second generation Grubbs catalyst
  • Grubbs-Nolan catalyst
  • (1,3-Dimesitylimidazolidin-2-ylidene)(tricyclohexylphosphine)benzylidene ruthenium dichloride
  • Grubbs Catalyst 2nd. generation
  • Benzylidene(1,3-dimesityl-4-imidazolidin-2-ylidene)(tricyclohexylphosphine)ruthenium dichloride
  • Tricyclohexylphosphine[1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-2-ylidene](benzylidene)ruthenium(IV) dichloride
  • Grubbs' 2nd generation catalyst
  • C 848 (Catalyst)
  • C 848
  • Grubbs 2nd catalyst
  • Tricyclohexylphosphino[1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-2-ylidene]benzylidene ruthenium dichloride
  • Generation II Grubbs' catalyst
  • Tricyclohexylphosphine[1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-2-ylidene]benzylidene ruthenium dichloride
  • Grubbs 2nd generation catalyst
  • Secondary generation Grubbs catalyst
  • M 204

Work with Grubbs second generation catalyst

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

(SP-5-41)-[1,3-Bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene]dichloro(3-phenyl-1H-inden-1-ylidene)(tricyclohexylphosphine)ruthenium536724-67-163 % similar (1,3-Bis(2,4,6-trimethylphenyl)imidazolidin-2-ylidene)(dichloro)((2-((propan-2-yl)oxy)phenyl)methylidene)ruthenium301224-40-856 % similar

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

Elsewhere

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