5-Bromo-4,7-dihydro-[1,3]dioxepine

Base Information

• Chemical Name: 5-Bromo-4,7-dihydro-[1,3]dioxepine
• CAS No.: 61253-91-6
• Molecular Formula: C5H7BrO2
• Molecular Weight: 179.01188
• Hs Code.: 2932999099
• DSSTox Substance ID: DTXSID00483975
• Mol file: 61253-91-6.mol

Synonyms:61253-91-6;5-BROMO-4,7-DIHYDRO-[1,3]DIOXEPINE;5-bromo-4,7-dihydro-1,3-dioxepine;5-Bromo-4,7-dihydro-2H-1,3-dioxepine;DTXSID00483975;AKOS006289069

Chemical Property of 5-Bromo-4,7-dihydro-[1,3]dioxepine

Chemical Property:

• PSA: 18.46000
• LogP: 1.26950
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 177.96294
• Heavy Atom Count: 8
• Complexity: 101

Purity/Quality:

99.0%Min ^*data from raw suppliers

5-BROMO-4,7-DIHYDRO-[1,3]DIOXEPINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1C=C(COCO1)Br

Technology Process of 5-Bromo-4,7-dihydro-[1,3]dioxepine

There total 4 articles about 5-Bromo-4,7-dihydro-[1,3]dioxepine 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:

→ 5-bromo-4,7-dihydro-[1,3]dioxepine (61253-91-6) + 5-Methoxy-4,5-dihydro-[1,3]dioxepin (118872-04-1)

Guidance literature:

With methanol; sodium methylate;

DOI:10.1021/jo01118a007

Reference yield:

1,3-dioxa-5-cycloheptene (5417-32-3) → 5-bromo-4,7-dihydro-[1,3]dioxepine (61253-91-6)

Guidance literature:

Multi-step reaction with 2 steps

1: tetrachloromethane; bromine / 0 °C

2: methanol

With methanol; tetrachloromethane; bromine;

DOI:10.1021/jo01118a007

Reference yield:

(+/-)-trans-5,6-dibromo-[1,3]dioxepane (20262-34-4,61253-90-5) + sodium methylate (124-41-4) → 5-bromo-4,7-dihydro-[1,3]dioxepine (61253-91-6) + 5-Methoxy-4,5-dihydro-[1,3]dioxepin (118872-04-1)

Guidance literature:

With methanol;

DOI:10.1021/jo01118a007

upstream raw materials:

(+/-)-trans-5,6-dibromo-[1,3]dioxepane

sodium methylate

1,3-dioxa-5-cycloheptene