21794-03-6

Basic information

• Product Name: 2(1H)-Naphthalenone, 3-bromooctahydro-4a-methyl-, (3alpha,4abeta,8aalp ha)-
• Synonyms: 2(1H)-Naphthalenone, 3-bromooctahydro-4a-methyl-, (3alpha,4abeta,8aalp ha)-
• CAS NO: 21794-03-6
• Molecular Formula: C₁₁H₁₇BrO
• Molecular Weight: 245.16
• Mol File: 21794-03-6.mol
• Article Data: 2

Chemical Properties

• Appearance: /
• CAS DataBase Reference: 2(1H)-Naphthalenone, 3-bromooctahydro-4a-methyl-, (3alpha,4abeta,8aalp ha)-(CAS DataBase Reference)
• NIST Chemistry Reference: 2(1H)-Naphthalenone, 3-bromooctahydro-4a-methyl-, (3alpha,4abeta,8aalp ha)-(21794-03-6)
• EPA Substance Registry System: 2(1H)-Naphthalenone, 3-bromooctahydro-4a-methyl-, (3alpha,4abeta,8aalp ha)-(21794-03-6)

Safety Data

• Hazardous Substances Data: 21794-03-6(Hazardous Substances Data)

Usage

Structure

Consists of a bromine atom, a methyl group, and a cyclooctane ring

Type of compound

Derivative of naphthalenone

Family of organic compounds

Naphthalenones

Uses

Chemical research and pharmaceutical development

Specific properties and potential applications

May vary, further research required for full understanding

Upstream product

• 938-07-8 trans-10-methyldecal-2-one 

Downstream Products

• 64025-96-3 (4aS)-4a-methyl-trans-4a,5,6,7,8,8a-hexahydro-1H-naphthalen-2-one-(2,4-dinitro-phenylhydrazone) 
• 56649-95-7 (4aR)-4a-methyl-trans-4a,5,6,7,8,8a-hexahydro-1H-naphthalen-2-one 
• 63975-59-7 (R)-(-)-4a-methyl-4,4a,5,6,7,8-hexahydro-3H-naphthalene-2-one 
• 64025-96-3 (+/-)-4a-methyl-trans-4a,5,6,7,8,8a-hexahydro-1H-naphthalen-2-one-(2,4-dinitro-phenylhydrazone) 
• 83324-22-5 2-phenylazo-4a-methyl-trans-Δ²-octalin 
• 1077-30-1 2β,3β-oxido-10-methyl-trans-decalin 
• 83324-36-1 3-phenyl-4a-methyl-trans-decalin-2-one 
• 83324-29-2 3-phenyl-4a-methyl-trans-decalin-2-one-syn-phenylhydrazone 

Relevant articles and documents

Diastereofacial selectivity in reactions of substituted cyclohexyl radicals. An experimental and theoretical study

The diastereofacial selectivity in reactions of a series of alkyl-substituted cyclohexyl radicals has been investigated. In additions of cyclohexyl radicals to alkenes, it has been found that only substituents bound at the olefinic center being attacked by the radical influence the equatorial-axial selectivity. Substituents bound to the radical center or axial substituents β to the radical center lead to increased axial attack. Equatorial β-substituents or axial γ-substituents increase the amount of equatorial attack. The same trends are observed for halogen and hydrogen abstraction reactions; the amount of axial reaction product is usually somewhat higher than in the addition reactions. The stereoselectivities can be explained with steric and torsional effects very similar to those suggested for nucleophilic addition reactions to cyclohexanones. A MM2 force field has been parameterized to gain further insight into the stereochemistry of the reaction.