57346-05-1 | Bicyclo[2.2.2]octane-2,5-dione

Packsize	Purity	Availability	Price	Discounted Price
100mg	95%	in stock	$185.00	$129.00
500mg	95%	in stock	$650.00	$455.00

Description

• Catalog Number: AB45627
• Chemical Name: Bicyclo[2.2.2]octane-2,5-dione
• CAS Number: 57346-05-1
• Molecular Formula: C8H10O2
• Molecular Weight: 138.1638
• MDL Number: MFCD24504367
• SMILES: O=C1CC2CCC1CC2=O

Computed Properties

• Complexity: 173
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 10
• Hydrogen Bond Acceptor Count: 2
• Undefined Atom Stereocenter Count: 2
• XLogP3: -0.1

Literature

• A practical chemo-enzymatic synthesis of homochiral bicyclo[2.2.2]octane-2,5-dione.

  The Journal of organic chemistry 20100319

• Engineering cofactor preference of ketone reducing biocatalysts: A mutagenesis study on a γ-diketone reductase from the yeast Saccharomyces cerevisiae serving as an example.

  International journal of molecular sciences 20100101

• Green's function study of the one-electron and shake-up ionization spectra of unsaturated hydrocarbon cage compounds.

  Journal of computational chemistry 20061115

• Efficient bioreduction of bicyclo[2.2.2]octane-2,5-dione and bicyclo[2.2.2]oct-7-ene-2,5-dione by genetically engineered Saccharomyces cerevisiae.

  Organic & biomolecular chemistry 20060607

• Preparation of C2-symmetric bicyclo[2.2.2]octa-2,5-diene ligands and their use for rhodium-catalyzed asymmetric 1,4-addition of arylboronic acids.

  The Journal of organic chemistry 20050401

• Autocatalytic domino Michael reaction leading to bicyclo[2.2.2]octane-2,5-dione derivatives.

  Organic letters 20040401