11H-Dibenzo[b,e][1,4]dioxepin

Base Information

• Chemical Name: 11H-Dibenzo[b,e][1,4]dioxepin
• CAS No.: 257-08-9
• Molecular Formula: C₁₃H₁₀O₂
• Molecular Weight: 198.221
• DSSTox Substance ID: DTXSID30487209
• Mol file: 257-08-9.mol

Synonyms:11H-Dibenzo[b,e][1,4]dioxepin;257-08-9;SCHEMBL6269163;DTXSID30487209

Chemical Property of 11H-Dibenzo[b,e][1,4]dioxepin

Chemical Property:

• PSA: 18.46000
• LogP: 3.37130
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 198.068079557
• Heavy Atom Count: 15
• Complexity: 217

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C2=CC=CC=C2OC3=CC=CC=C3O1

Technology Process of 11H-Dibenzo[b,e][1,4]dioxepin

There total 7 articles about 11H-Dibenzo[b,e][1,4]dioxepin 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: 73.0%

C13H11BrO2 → Depsidan (257-08-9)

Guidance literature:

With potassium tert-butylate; In dimethyl sulfoxide; at 100 ℃; for 3h;

DOI:10.1039/c5ra07532g

Reference yield:

2-(2-bromomethyl-phenoxy)-phenol (855400-98-5) → Depsidan (257-08-9)

Guidance literature:

With potassium hydroxide;

Reference yield:

2-(2-hydroxy-phenoxy)-benzoic acid (3487-81-8) → Depsidan (257-08-9)

Guidance literature:

Multi-step reaction with 4 steps

1: HCl

2: LiAlH₄; diethyl ether

3: Na₂SO₄; benzene; HBr

4: methanol. KOH-solution

With hydrogenchloride; potassium hydroxide; lithium aluminium tetrahydride; diethyl ether; hydrogen bromide; sodium sulfate; benzene;

upstream raw materials:

2-(2-bromomethyl-phenoxy)-phenol

2-(2-hydroxy-phenoxy)-benzoic acid

2-(2-hydroxy-phenoxy)-benzoic acid methyl ester

2-(2-hydroxy-phenoxy)-benzyl alcohol

Refernces