CAS 1799947-97-9 (1,3-Bis(2,6-diisopropylphenyl)-4-((4-ethyl-4-methylpiperzain-1-ium-1-yl)methyl)imidazolidin-2-ylidene)(2-isopropoxybenzylidene)ruthenium(II)dichloride chloride dihydrate fixcat

Synonyms

(1,3-Bis(2,6-diisopropylphenyl)-4-((4-ethyl-4-methylpiperzain-1-ium-1-yl)methyl)imidazolidin-2-ylidene)(2-isopropoxybenzylidene)ruthenium(II)dichloride chloride dihydrate

Molecular Weight

923.5

Molecular Formula

C45H71Cl3N4O3Ru

Canonical SMILES

CC[N+]1(CCN(CC1)CC2CN([C-]=[N+]2C3=C(C=CC=C3C(C)C)C(C)C)C4=C(C=CC=C4C(C)C)C(C)C)C.CC(C)OC1=CC=CC=C1C=[Ru](Cl)Cl.O.O.[Cl-]

InChI

InChI=1S/C35H55N4.C10H12O.3ClH.2H2O.Ru/c1-11-39(10)20-18-36(19-21-39)22-29-23-37(34-30(25(2)3)14-12-15-31(34)26(4)5)24-38(29)35-32(27(6)7)16-13-17-33(35)28(8)9;1-8(2)11-10-7-5-4-6-9(10)3;/h12-17,25-29H,11,18-23H2,1-10H3;3-8H,1-2H3;3*1H;2*1H2;/q+1;+2/p-3

InChI Key

YSJKIRYJEOTTTL-UHFFFAOYSA-K

Purity

98%

Appearance

Green powder

Complexity

1120

Covalently-Bonded Unit Count

Defined Atom Stereocenter Count

Exact Mass

922.363516

Heavy Atom Count

Monoisotopic Mass

922.363516

Rotatable Bond Count

Topological Polar Surface Area

20.7 Å²

Application

(1,3-Bis(2,6-diisopropylphenyl)-4-((4-ethyl-4-methylpiperzain-1-ium-1-yl)methyl)imidazolidin-2-ylidene)(2-isopropoxybenzylidene)ruthenium(II)dichloride chloride dihydrate fixcat serves as a stable olefin metathesis initiator with excellent solubility in pure water. It is designed to efficiently promote ring-closing, cross, and enyne metathesis reactions involving water-soluble substrates. The product is versatile, functioning effectively in both homogeneous and heterogeneous setups, whether in batch or continuous flow processes. Its structure is optimized for easy immobilization on solid supports, enhancing its role as a robust and multifaceted catalyst. Particularly in its SCA-15 supported form, it demonstrates remarkable efficacy in facilitating ring-closing and cross-metathesis reactions, maintaining its performance in both batch and flow configurations. Additionally, it can be utilized as a homogeneous catalyst in solvents that include alcohols and halogenated compounds.

March 5, 2025

Efficient Catalyst for Metathesis Reactions

Fixcat was exceptional in my lab work. Its solubility in water and versatility greatly enhanced our ring-closing metathesis experiments. Easy to use in both batch and flow setups, making research seamless.