(+)-Bis[1-{(1'R,2'R,5'R)-2'-i-propyl-5'-methylcyclohexyl}indenyl]zirconium(IV) dichloride

Catalog Number	ACM148347904-1
CAS	148347-90-4
Structure
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
Application	Catalyst used for the enantioselective carboalumination of unactivated alkenes. Catalyst used for the enantioselective synthesis of methyl-substituted alkanols and their derivatives. Reagent for the synthesis of reduced polypropionates via "one pot" Zr-catalyzed asymmetric carboalumination Pd-catalyzed cross-coupling tandem process. Catalyst used for the asymmetric carboalumination of internally hydroxylated terminal alkenes.
Complexity	365
Covalently-Bonded Unit Count	3
Defined Atom Stereocenter Count	6
Exact Mass	666.233656
Formal Charge	2
Heavy Atom Count	41
Hydrogen Bond Acceptor Count	0
Hydrogen Bond Donor Count	0
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

Q&A

What is the Molecular formula of (+)-Bis[1-{(1'R,2'R,5'R)-2'-i-propyl-5'-methylcyclohexyl}indenyl]zirconium(IV) dichloride?

C38H50Cl2Zr+2

What is the Molecular weight of (+)-Bis[1-{(1'R,2'R,5'R)-2'-i-propyl-5'-methylcyclohexyl}indenyl]zirconium(IV) dichloride?

668.9

What is the Customs number of (+)-Bis[1-{(1'R,2'R,5'R)-2'-i-propyl-5'-methylcyclohexyl}indenyl]zirconium(IV) dichloride?

29319090

What is the InChIKey of (+)-Bis[1-{(1'R,2'R,5'R)-2'-i-propyl-5'-methylcyclohexyl}indenyl]zirconium(IV) dichloride?

LXHHYYSQWPZHTO-GLSWNTFDSA-L

What is the SMILES of (+)-Bis[1-{(1'R,2'R,5'R)-2'-i-propyl-5'-methylcyclohexyl}indenyl]zirconium(IV) dichloride?

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

What is the Form of (+)-Bis[1-{(1'R,2'R,5'R)-2'-i-propyl-5'-methylcyclohexyl}indenyl]zirconium(IV) dichloride?

Powder

What is the Specific rotation of (+)-Bis[1-{(1'R,2'R,5'R)-2'-i-propyl-5'-methylcyclohexyl}indenyl]zirconium(IV) dichloride?

+71°(c 0.28, toluene)

What is the LogP of (+)-Bis[1-{(1'R,2'R,5'R)-2'-i-propyl-5'-methylcyclohexyl}indenyl]zirconium(IV) dichloride?

11.312

What is the Sensitivity of (+)-Bis[1-{(1'R,2'R,5'R)-2'-i-propyl-5'-methylcyclohexyl}indenyl]zirconium(IV) dichloride?

Moisture Sensitive

What is the Storage condition of (+)-Bis[1-{(1'R,2'R,5'R)-2'-i-propyl-5'-methylcyclohexyl}indenyl]zirconium(IV) dichloride?

Store under 2-8℃, dark, nitrogen