79252-23-6

Basic information

• Product Name: benz(a)anthracene 10,11-epoxide
• Synonyms: benz(a)anthracene 10,11-epoxide;BENZ(A)ANTHRACENEEPOXIDE
• CAS NO: 79252-23-6
• Molecular Formula: C18H12 O
• Molecular Weight: 0
• Mol File: 79252-23-6.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 473.7°C at 760 mmHg
• Flash Point: 226.1°C
• Appearance: /
• Density: 1.302g/cm³
• Vapor Pressure: 1.09E-08mmHg at 25°C
• Refractive Index: 1.77
• CAS DataBase Reference: benz(a)anthracene 10,11-epoxide(CAS DataBase Reference)
• NIST Chemistry Reference: benz(a)anthracene 10,11-epoxide(79252-23-6)
• EPA Substance Registry System: benz(a)anthracene 10,11-epoxide(79252-23-6)

Safety Data

• Hazardous Substances Data: 79252-23-6(Hazardous Substances Data)

Usage

InChI:InChI=1/C18H12O/c1-2-4-14-11(3-1)5-6-12-9-13-7-8-17-18(19-17)16(13)10-15(12)14/h1-10,17-18H

Upstream product

• 79298-97-8 (-)-trans-10-bromo-11-methyloxyacetoxy-8,9,10,11-tetrahydrobenzanthracene 
• 79252-25-8 (-)-trans-11-acetoxy-10-bromo-8,9,10,11-tetrahydrobenzanthracene 
• 79298-96-7 (-)-trans-10-bromo-11-hydroxy-8,9,10,11-tetrahydrobenzanthracene 
• 79252-20-3 (10S,11S)-10-Bromo-8,9,10,11-tetrahydro-benzo[a]anthracen-11-ol 
• 79252-24-7 (-)-trans-11-acetoxy-8,10-dibromo-8,9,10,11-tetrahydrobenzanthracene 

Relevant articles and documents

The Synthesis of Chiral Arene Oxide Methabolites of Benzanthracene: Optically Active Benzanthracene 10,11- and 5,6- Oxides

(+)-Benzanthracene 10,11-oxide (9) has been obtained in optically pure form by a four-step synthesis from (-)-trans-(10R,11R)-10-bromo-11-(menthyloxyacetoxy)-8,9,10,11-tetrahydrobenzanthracene (1A) which was separated from diastereoisomer (1B) by recrystallisation.The absolute configuration of (+)-(9) was established as (10S, 11R) by application of the excition-chirality method to the circular dichroism curve of the benzoate (+)-(6) and by a correlation of stereochemistry between (+)-(6), (-)-(4), and (+)-(9). (+)-Benzanthracene 5,6-oxide (15) has been synthesised in 30percent optical yield using partially resolved (+)-cis-5,6-dihydroxy-5,6-dihydrobenzanthracene (11) obtainable by chromatographic resolution of the (-)-cis-5,6-dimethyloxyacetoxy-5,6-dihydrobenzanthracene diastereoisomers (12A) and (12B).Both arene oxides, (+)-(9) and (+)-(15), showed configurational stability at ambient temperature in accord with perturbation molecular orbital calculations.