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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

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Catalog Number

ACM148347904

Product Name

Structure

CAS

148347-90-4

Product Overview
Usage

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

Defined Atom Stereocenter Count

Exact Mass

666.233656

Formal Charge

Heavy Atom Count

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

Topological Polar Surface Area

0 Å²

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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CAS
Size
Purity
Price
Quantity
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148347-90-4
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95%
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