7-Bromo-2,3,4,5-tetrahydro-1-benzoxepine

Base Information

• Chemical Name: 7-Bromo-2,3,4,5-tetrahydro-1-benzoxepine
• CAS No.: 93591-69-6
• Molecular Formula: C₁₀H₁₁BrO
• Molecular Weight: 227.101
• Hs Code.: 2932999099
• DSSTox Substance ID: DTXSID70535718
• Wikidata: Q82410124
• Mol file: 93591-69-6.mol

Synonyms:93591-69-6;7-Bromo-2,3,4,5-tetrahydro-1-benzoxepine;7-Bromo-3,4-dihydro-2H-benzo[b]oxepine;1-Benzoxepin, 7-bromo-2,3,4,5-tetrahydro-;7-bromo-2,3,4,5-tetrahydrobenzo[b]oxepine;SCHEMBL3520162;DTXSID70535718;LIKLOHRHBYKOHW-UHFFFAOYSA-N;AKOS015969210

Chemical Property of 7-Bromo-2,3,4,5-tetrahydro-1-benzoxepine

Chemical Property:

• PSA: 9.23000
• LogP: 3.16420
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 225.99933
• Heavy Atom Count: 12
• Complexity: 149

Purity/Quality:

97% ^*data from raw suppliers

7-BROMO-3,4-DIHYDRO-2H-BENZO[B]OXEPINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCOC2=C(C1)C=C(C=C2)Br

Technology Process of 7-Bromo-2,3,4,5-tetrahydro-1-benzoxepine

There total 4 articles about 7-Bromo-2,3,4,5-tetrahydro-1-benzoxepine 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:

7-bromo-3,4-dihydrobenzo[b]oxepin-5(2H)-one (55580-08-0) → 7-bromo-2,3,4,5-tetrahydro-1-benzoxepine (93591-69-6)

Guidance literature:

With triethylsilane; In ethanol; water; trifluoroacetic acid;

Reference yield:

2,3,4,5-tetrahydro-benzo[b]oxepine (6169-78-4) → 7-bromo-2,3,4,5-tetrahydro-1-benzoxepine (93591-69-6)

Guidance literature:

With bromine; In tetrachloromethane; at 20 ℃; Yield given;

DOI:10.1007/BF00513564

Reference yield:

3,4-dihydro-1-benzoxepin-5(2H)-one (6786-30-7) → 7-bromo-2,3,4,5-tetrahydro-1-benzoxepine (93591-69-6)

Guidance literature:

Multi-step reaction with 2 steps

1: 76 percent / 40 h

2: Bromine / CCl₄ / 20 °C

With bromine; In tetrachloromethane;

DOI:10.1007/BF00513564

upstream raw materials:

2,3,4,5-tetrahydro-benzo[b]oxepine

3,4-dihydro-1-benzoxepin-5(2H)-one

7-bromo-3,4-dihydrobenzo[b]oxepin-5(2H)-one

Refernces

• 1、 -. "Anilide derivative, production and use thereof". . . Retrieved 2008/06/13.