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- (+)-Bis[1-{(1'R,2'R,5'R)-2'-i-propyl-5'-methylcyclohexyl}indenyl]zirconium(IV) dichloride
(+)-Bis[1-{(1'R,2'R,5'R)-2'-i-propyl-5'-methylcyclohexyl}indenyl]zirconium(IV) dichloride
PRICE INQUIRYCatalog Number
ACM148347904
Product Name
(+)-Bis[1-{(1'R,2'R,5'R)-2'-i-propyl-5'-methylcyclohexyl}indenyl]zirconium(IV) dichloride
Structure
![{[CurrentData.Name]}](https://resource.alfachemic.com/structure/148347-90-4.gif)
CAS
148347-90-4
Synonyms
Dichlorozirconium(2+);1-[(1S,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]indene
IUPAC Name
dichlorozirconium(2+);1-[(1S,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]indene;
Molecular Weight
668.9
Molecular Formula
C38H50Cl2Zr
Canonical SMILES
CC1CCC(C(C1)[C]2[CH][CH][C]3[C]2C=CC=C3)C(C)C.CC1CCC(C(C1)[C]2[CH][CH][C]3[C]2C=CC=C3)C(C)C.Cl[Zr+2]Cl
InChI
InChI=1S/2C19H25.2ClH.Zr/c2*1-13(2)16-10-8-14(3)12-19(16)18-11-9-15-6-4-5-7-17(15)18;/h2*4-7,9,11,13-14,16,19H,8,10,12H2,1-3H3;2*1H;/q;+4/p-2/t2*14-,16-,19-;/m11/s1
InChI Key
LXHHYYSQWPZHTO-GLSWNTFDSA-L
Purity
95%
Appearance
Powder
Complexity
365
Covalently-Bonded Unit Count
3
Defined Atom Stereocenter Count
6
Exact Mass
666.233656
Formal Charge
2
Heavy Atom Count
41
Isomeric SMILES
C[C@@H]1CC[C@@H]([C@@H](C1)[C]2[CH][CH][C]3[C]2C=CC=C3)C(C)C.C[C@@H]1CC[C@@H]([C@@H](C1)[C]2[CH][CH][C]3[C]2C=CC=C3)C(C)C.Cl[Zr+2]Cl
Monoisotopic Mass
666.233656
Rotatable Bond Count
4
Topological Polar Surface Area
0 Ų
Application
(+)-Bis[1-{(1'R,2'R,5'R)-2'-i-propyl-5'-methylcyclohexyl}indenyl]zirconium(IV) dichloride serves as a catalyst for the enantioselective carboalumination of unactivated alkenes. Its purpose extends to facilitating the enantioselective synthesis of methyl-substituted alkanols and their derivatives. Additionally, it acts as a key reagent in the synthesis of reduced polypropionates through a "one pot" zirconium-catalyzed asymmetric carboalumination, followed by a palladium-catalyzed cross-coupling tandem process. Furthermore, it is utilized in the asymmetric carboalumination of internally hydroxylated terminal alkenes, highlighting its versatile applications in stereoselective synthesis processes.
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