Benz(c)acridine 5,6-epoxide

Base Information

• Chemical Name: Benz(c)acridine 5,6-epoxide
• CAS No.: 89729-28-2
• Molecular Formula: C₁₇H₁₁NO
• Molecular Weight: 245.28
• DSSTox Substance ID: DTXSID30237867
• Wikidata: Q83120114
• Mol file: 89729-28-2.mol

Synonyms:Benz(c)acridine 5,6-epoxide;89729-28-2;CCRIS 5418;BENZ[C]ACRIDINE 5,6-EPOXIDE;DTXSID30237867

Chemical Property of Benz(c)acridine 5,6-epoxide

Chemical Property:

• Vapor Pressure: 5.92E-09mmHg at 25°C
• Boiling Point: 481.2°Cat760mmHg
• Flash Point: 171.6°C
• Density: 1.433g/cm³
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 243.068413911
• Heavy Atom Count: 19
• Complexity: 370

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C=C3C4=C(O4)C5=CC=CC=C5C3=N2

Technology Process of Benz(c)acridine 5,6-epoxide

There total 2 articles about Benz(c)acridine 5,6-epoxide which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 42.0%

benz[c]acridine (225-51-4,208851-55-2) → (+/-)-Benzacridine 5,6-Oxide (89729-28-2)

Guidance literature:

With sodium hypochlorite; In chloroform; for 5h; Ambient temperature; pH 8.5 (0.8 M sodium phosphate, tetrabutylammonium hydrogen phosphate);

DOI:10.1021/jo00331a019

Reference yield:

7-methylbenzo[c]acridine (3340-94-1) → 5,6-epoxy-7-methyl-5,6-dihydrobenzacridine (76527-87-2) + (1aS,11bR)-1a,11b-Dihydro-1-oxa-6-aza-benzo[a]cyclopropa[c]anthracene (78167-98-3,89729-28-2)

Guidance literature:

With sodium hypochlorite; In water; Title compound not separated from byproducts;

DOI:10.1016/S0040-4039(00)78646-1

upstream raw materials:

benz[c]acridine

7-methylbenzo[c]acridine

Refernces

• 1、 Boux, L. J.,Cheung, H. T. A.,Holder, G. M.,Moldovan, L.. "POTENTIAL METABOLITES OF CARCINOGENIC AZA AROMATIC HYDROCARBONS. SYNTHESIS OF K-REGION OXIDE, PHENOL AND DIHYDRODIOLS OF 7-METHYLBENZACRIDINE". . p. 2923 - 2926. Retrieved 2007/10/02.