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804010

Sigma-Aldrich

Co(salen,t-Bu, t-Bu)Cl

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Empirical Formula (Hill Notation):
C36H52ClCoN2O2
Molecular Weight:
639.20
UNSPSC Code:
12352300
PubChem Substance ID:

form

powder

reaction suitability

reagent type: catalyst
core: cobalt

mp

250 °C

storage temp.

2-8°C

SMILES string

Cl[Co]1OC(C(C(C)(C)C)=CC(C(C)(C)C)=C2)=C2/C=N/[C@](CCCC3)([H])[C@@]3([H])/N=C/C(C=C(C(C)(C)C)C=C4C(C)(C)C)=C4O1

InChI

1S/C36H54N2O2.ClH.Co/c1-33(2,3)25-17-23(31(39)27(19-25)35(7,8)9)21-37-29-15-13-14-16-30(29)38-22-24-18-26(34(4,5)6)20-28(32(24)40)36(10,11)12;;/h17-22,29-30,39-40H,13-16H2,1-12H3;1H;/q;;+3/p-3/b37-21+,38-22+;;/t29-,30-;;/m0../s1

InChI key

DIPYCKRNYQWVPM-RUIQGICGSA-K

Application

When utilized with organosilanes, catalytic amounts of Co(salen,t-Bu, t-Bu)Cl effects the isomerization of terminal alkenes.

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Regulatory Information

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Steven W M Crossley et al.
Journal of the American Chemical Society, 136(48), 16788-16791 (2014-11-15)
Catalytic amounts of Co(Sal(tBu,tBu))Cl and organosilane irreversibly isomerize terminal alkenes by one position. The same catalysts effect cycloisomerization of dienes and retrocycloisomerization of strained rings. Strong Lewis bases like amines and imidazoles, and labile functionalities like epoxides, are tolerated.

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Shenvi lab repurposed Jacobsen’s cobalt chloride complex for positional isomerization of terminal alkenes via reversible hydrogen atom transfer.

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