114326-33-9

Basic information

• Product Name: 3,4-dihydrodioldibenz(a,j)anthracene
• Synonyms: 3,4-dihydrodioldibenz(a,j)anthracene
• CAS NO: 114326-33-9
• Molecular Weight: 0
• Mol File: 114326-33-9.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 599.1°C at 760 mmHg
• Flash Point: 310°C
• Appearance: /
• Density: 1.31g/cm³
• Vapor Pressure: 2.58E-14mmHg at 25°C
• Refractive Index: 1.708
• CAS DataBase Reference: 3,4-dihydrodioldibenz(a,j)anthracene(CAS DataBase Reference)
• NIST Chemistry Reference: 3,4-dihydrodioldibenz(a,j)anthracene(114326-33-9)
• EPA Substance Registry System: 3,4-dihydrodioldibenz(a,j)anthracene(114326-33-9)

Safety Data

• Hazardous Substances Data: 114326-33-9(Hazardous Substances Data)

Usage

InChI:InChI=1/C26H20O4/c1-15(27)29-25-12-11-21-22(26(25)30-16(2)28)10-9-19-13-18-8-7-17-5-3-4-6-20(17)23(18)14-24(19)21/h3-14,25-26H,1-2H3/t25-,26-/m0/s1

Upstream product

• 114326-32-8 (-)-(3R,4R)-trans-3,4-dihydrodibenzanthracen-3,4-diyl diacetate 
• 137676-25-6 (-)-(3R,4S)-3,4-epoxy-1,2,3,4-tetrahydrodibenzanthracene 
• 137676-27-8 (-)-(3R,4R)-trans-1,2,3,4-tetrahydrodibenzanthracen-3,4-diyl diacetate 
• 137676-28-9 (-)-(3R,4R)-trans-1-bromo-1,2,3,4-tetrahydrodibenzanthracen-3,4-diyl diacetate 
• 137676-26-7 (-)-(3R,4R)-trans-1,2,3,4-tetrahydrodibenzanthracen-3,4-diol 
• 137676-23-4 (-)-(3S,4S)-trans-3-bromo-1,2,3,4-tetrahydrodibenzanthracen-4-ol 
• 114326-32-8 Acetic acid (3S,4S)-3-acetoxy-3,4-dihydro-dibenzo[a,j]anthracen-4-yl ester 
• 83136-32-7 3-hydroxydibenzanthracene 
• 114326-28-2 3-methoxy-14-acetoxydibenzanthracene 
• 114326-26-0 7-Methoxy-3-naphthalen-2-yl-3H-naphtho[1,2-c]furan-1-one 
• 114326-27-1 6-Methoxy-2-naphthalen-2-ylmethyl-naphthalene-1-carboxylic acid 
• 114326-31-7 dibenzanthracene-3,4-dione 
• 114326-25-9 6-methoxy-1-naphthoic acid diethylamide 
• 83136-28-1 3-methoxydibenzanthracene 

Downstream Products

• 114326-34-0 (+/-)-trans-3,4-dihydroxy-syn-1,2-epoxy-1,2,3,4-tetrahydrodibenz[a,j]anthracene 

Relevant articles and documents

Synthesis of the Mammalian Metabolites of Dibenzanthracene: Dibenzanthracene 3,4-Oxide and (-)-(3R,4R)-trans-3,4-Dihydroxy-3,4-dihydrodibenzanthracene

Dibenzanthracene 3,4-oxide (2) and the isomeric oxepine (19) were synthesised simultaneously from a common dibromoester precursor (9).The oxepine isomer (19) was also formed by photoisomerisation of the arene oxide (2).Resolution and absolute configuration assignment of each enantiomer of trans-3-bromo-4-hydroxy-1,2,3,4-tetrahydrodibenzanthracene (10) was achieved by chromatographic separation and recrystallisation of the MTPA diastereoisomers (11a/11b).The (+)-(3S,4S)bromo-MTPA ester (11a) was used in a seven-step synthesis of the chiral metabolite (-)-(3R,4R)-trans-3,4-dihydroxy-3,4-dihydrodibenzanthracene (3).The (-)-(3R,4R)-bromo-MTPA ester diastereoisomer (11b) similarly served as a precursor of (3S,4R)-dibenzanthracene 3,4-oxide (2) which spontaneously racemised via an unstable oxepine isomer (18).