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Home > Products > Material & Chemicals > Micro/NanoElectronics > Zirconium(IV) tert-butoxide

Catalog Number
ACM2081121
Product Name
Zirconium(IV) tert-butoxide
Structure
CAS
2081-12-1
Synonyms
CTK3J2153; zirconium tetra-nbutanolate; AKOS015904235; 2081-12-1; Zirconium(IV) tert-butoxide; I14-16532;
IUPAC Name
2-methylpropan-2-olate;zirconium(4+);
Molecular Formula
C16H36O4Zr;
Molecular Weight
383.684g/mol
Exact Mass
382.166g/mol
Monoisotopic Mass
382.166g/mol
Topological Polar Surface Area
92.2A^2
Heavy Atom Count
21
Complexity
25.1
Covalently-Bonded Unit
5
SMILES
CC(C)(C)[O-].CC(C)(C)[O-].CC(C)(C)[O-].CC(C)(C)[O-].[Zr+4];
InChI
InChI=1S/4C4H9O.Zr/c4*1-4(2,3)5;/h4*1-3H3;/q4*-1;+4;
InChI Key
BGGIUGXMWNKMCP-UHFFFAOYSA-N;
H-Bond Acceptor
4
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1 NMR spectroscopic characterization and DFT calculations of zirconium(IV)-3,3'-Br2-BINOLate and related complexes used in an enantioselective Friedel-Crafts alkylation of indoles with α,β-unsaturated ketones.

Blay G1, Cano J, Cardona L, Fernández I, Muñoz MC, Pedro JR, Vila C.

J Org Chem. 2012 Dec 7;77(23):10545-56. doi: 10.1021/jo3013594. Epub 2012 Nov 12.

Experimental and theoretical studies on the structure of several complexes based on (R)-3,3'-Br(2)-BINOL ligand and group (IV) metals used as catalysts in an enantioselective Friedel-Crafts alkylation of indoles with α,β-unsaturated ketones have been carried out. NMR spectroscopic studies of these catalysts have been performed, which suggested that at room temperature the catalysts would form a mon ... Read More

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Email:
Tel:1-201-478-8534
1-516-662-5404
Fax: 1-516-927-0118
Address: 2200 Smithtown Avenue, Room 1 Ronkonkoma, NY 11779-7329 USA