Benz(a)anthryl(5,6-b)oxepine

Base Information

• Chemical Name: Benz(a)anthryl(5,6-b)oxepine
• CAS No.: 115085-17-1
• Molecular Formula: C₂₂H₁₄O
• Molecular Weight: 294.353
• DSSTox Substance ID: DTXSID00921620

Synonyms:Benz(a)anthryl(5,6-b)oxepine;115085-17-1;CCRIS 3842;Tetrapheno[6,5-b]oxepine;DTXSID00921620

Chemical Property of Benz(a)anthryl(5,6-b)oxepine

Chemical Property:

• XLogP3: 6.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 294.104465066
• Heavy Atom Count: 23
• Complexity: 492

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C=C3C(=CC2=C1)C4=CC=CC=C4C5=C3OC=CC=C5

Technology Process of Benz(a)anthryl(5,6-b)oxepine

There total 6 articles about Benz(a)anthryl(5,6-b)oxepine 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:

(+/-)-2β,4α-dibromo-1,2,3,4-tetrahydrodibenzanthracen-1α-ol (137116-87-1) → benz<1',2':3,4>anthra<1,2-b>oxepine (115085-17-1) + 1-hydroxy-dibenzanthracene (115165-01-0) + 2-hydroxy-dibenzanthracene (113058-38-1) + (+/-)-dibenzanthracene 1,2-oxide (84850-08-8)

Guidance literature:

With sodium methylate; In tetrahydrofuran; at 0 ℃; for 4h;

Reference yield:

(+/-)-2β,4α-dibromo-1α-trifluoroacetoxy-1,2,3,4-tetrahydrodibenzanthracene (137116-85-9) → benz<1',2':3,4>anthra<1,2-b>oxepine (115085-17-1) + 1-hydroxy-dibenzanthracene (115165-01-0) + 2-hydroxy-dibenzanthracene (113058-38-1) + (+/-)-dibenzanthracene 1,2-oxide (84850-08-8)

Guidance literature:

With sodium methylate; In tetrahydrofuran; at 0 ℃; for 4h;

Reference yield:

(+/-)-1α-acetoxy-2β,4α-dibromo-1,2,3,4-tetrahydrodibenzanthracene (115085-16-0,137172-85-1) → benz<1',2':3,4>anthra<1,2-b>oxepine (115085-17-1) + 1-hydroxy-dibenzanthracene (115165-01-0) + 2-hydroxy-dibenzanthracene (113058-38-1) + (+/-)-dibenzanthracene 1,2-oxide (84850-08-8)

Guidance literature:

With sodium methylate; In tetrahydrofuran; at 0 ℃; for 4h;

upstream raw materials:

(+/-)-2β,4α-dibromo-1,2,3,4-tetrahydrodibenzanthracen-1α-ol

(+/-)-2β,4α-dibromo-1α-trifluoroacetoxy-1,2,3,4-tetrahydrodibenzanthracene

(+/-)-1α-acetoxy-2β,4α-dibromo-1,2,3,4-tetrahydrodibenzanthracene

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