Benz(3,4)anthra(1,2-b)oxirene, 1a,11b-dihydro-

Base Information

• Chemical Name: Benz(3,4)anthra(1,2-b)oxirene, 1a,11b-dihydro-
• CAS No.: 962-32-3
• Molecular Formula: C18H12 O
• Molecular Weight: 244.293
• Hs Code.: 2932999099
• DSSTox Substance ID: DTXSID60914614
• Nikkaji Number: J35.539I
• Mol file: 962-32-3.mol

Synonyms:5,6-epoxybenz(a)anthracene;benz(a)anthracene-5,6-epoxide;benzanthracene-5,6-oxide

Chemical Property of Benz(3,4)anthra(1,2-b)oxirene, 1a,11b-dihydro-

Chemical Property:

• Vapor Pressure: 9.01E-08mmHg at 25°C
• Refractive Index: 1.4700 (estimate)
• Boiling Point: 447.3°Cat760mmHg
• Flash Point: 212.4°C
• PSA: 12.53000
• Density: 1.285g/cm³
• LogP: 4.63280
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 244.088815002
• Heavy Atom Count: 19
• Complexity: 365

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C=C3C4=CC=CC=C4C5C(C3=CC2=C1)O5

Technology Process of Benz(3,4)anthra(1,2-b)oxirene, 1a,11b-dihydro-

There total 2 articles about Benz(3,4)anthra(1,2-b)oxirene, 1a,11b-dihydro- 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:

benz[a]anthracene (56-55-3) → (+/-)-benzanthracene-5,6-epoxide (962-32-3)

Guidance literature:

With 3,3-dimethyldioxirane; In acetone; at 0 - 5 ℃; for 12h;

DOI:10.1016/S0040-4039(01)80341-5

Reference yield:

→ (+/-)-benzanthracene-5,6-epoxide (962-32-3)

Guidance literature:

aus 4d;

DOI:10.1021/ja00845a032

Reference yield: 93.0%

1a,11b-dihydrobenz<3,4>anthro<1,2-b>oxirene (962-32-3,64437-56-5,74444-64-7,74444-65-8) → benz[a]anthracene (56-55-3)

Guidance literature:

With lithium; In tetrahydrofuran; 1.) 0 deg C, 3 h, 2.) -18 deg C, 6 d;

upstream raw materials:

benz[a]anthracene

Downstream raw materials:

5-hydroxybenzanthracene

5-hydroxybenzanthracene

(5R,6S)-6-Methoxy-5,6-dihydro-benzo[a]anthracen-5-ol

(+/-)-trans-5-hydroxy-6-methoxy-5,6-dihydrobenzanthracene

Refernces

A New Cyclization Reaction Leading to Epoxides of Aromatic Hydrocarbons

10.1021/ja01078a038

The study explores various chemical reactions and syntheses involving different compounds. One section focuses on the formolysis of alkyl p-nitrobenzenesulfonates, where different substrates like 6-methyl-5-heptenyl p-nitrobenzenesulfonate and 6-methyl-6-heptenyl p-nitrobenzenesulfonate are used to produce various alcohols and olefins. The yields and extents of reactions are analyzed and reported. Another part of the study describes the synthesis of epoxides of aromatic hydrocarbons, such as 9,10-dihydro-9,10-epoxyphenanthrene, 3,4-dihydro-3,4-epoxy-1,2-benzanthracene, and 3,4-dihydro-3,4-epoxy-10-methyl-1,2-benzanthracene, using trisdimethylaminophosphine and dialdehydes. These epoxides are sensitive to acid treatment and rearrange to form phenolic compounds. The study also involves the preparation of 4-bromo- and 4-iodo-2,5,7-trinitrofluorenones as reagents for forming charge-transfer complexes suitable for X-ray analysis. Various complexes are listed, and the study aims to explore the complex-forming abilities of these reagents and their potential use in X-ray crystallographic studies.