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Structure

2,6-Diisopropylphenylimidoneophylidene molybdenum(VI) bis(hexafluoro-t-butoxide) SCHROCK'S CATALYST

CAS
139220-25-0
Catalog Number
ACM139220250
Category
Other Products
Molecular Weight
767.562g/mol
Molecular Formula
C30H37F12MoNO2;

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Specification

Synonyms
SREMDTDVHCUUIZ-UHFFFAOYSA-N; SCHROCK'S CATALYST; SCHEMBL1634829; SC10923; MFCD00269857;
IUPAC Name
[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum;1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol;
Canonical SMILES
CC(C)C1=C(C(=CC=C1)C(C)C)N=[Mo]=CC(C)(C)C2=CC=CC=C2.CC(C(F)(F)F)(C(F)(F)F)O.CC(C(F)(F)F)(C(F)(F)F)O;
InChI
InChI=1S/C12H17N.C10H12.2C4H4F6O.Mo/c1-8(2)10-6-5-7-11(9(3)4)12(10)13;1-10(2,3)9-7-5-4-6-8-9;2*1-2(11,3(5,6)7)4(8,9)10;/h5-9H,1-4H3;1,4-8H,2-3H3;2*11H,1H3;;
InChI Key
SKVDWEMQFYIDCB-UHFFFAOYSA-N;
Application
Unlike Mo(C10H12)(C12H17N)(OC4H9)2, the bis(hexafluoro-t-butoxide) (MoF6) derivative will metathesize many ordinary olefins, especially terminal olefins, and will ROMP many norbornene or substituted norbornadiene monomers to give all cis, and often isotactic, polymers.

Useful for the "ring-closing" of dienes or the coupling of terminal olefins.

Useful for cross-metathesis of alphatic alkenes with 2-vinyl aromatics.
Complexity
894
Covalently-Bonded Unit Count
3
Exact Mass
769.169g/mol
H-Bond Acceptor
15
H-Bond Donor
2
Heavy Atom Count
46
Monoisotopic Mass
769.169g/mol
Rotatable Bond Count
5
Topological Polar Surface Area
52.8A^2
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