2-(Bromomethyl)-4,7-dihydro-2H-1,3-dioxepine

Base Information

• Chemical Name: 2-(Bromomethyl)-4,7-dihydro-2H-1,3-dioxepine
• CAS No.: 117381-06-3
• Molecular Formula: C₆H₉BrO₂
• Molecular Weight: 193.04
• DSSTox Substance ID: DTXSID20439570
• Nikkaji Number: J1.142.018D
• Mol file: 117381-06-3.mol

Synonyms:117381-06-3;2-(Bromomethyl)-4,7-dihydro-2H-1,3-dioxepine;2-(bromomethyl)-4,7-dihydro-1,3-dioxepine;2-(Bromomethyl)-4,7-dihydro-1,3-dioxepin;(Z)-2-(bromomethyl)-4,7-dihydro-1,3-dioxepine;2-BROMOMETHYL-4,7-DIHYDRO-[1,3]DIOXEPINE;SCHEMBL8314220;DTXSID20439570;AKOS006290285;2-bromomethyl-4,7-dihydro-1,3-dioxepine

Chemical Property of 2-(Bromomethyl)-4,7-dihydro-2H-1,3-dioxepine

Chemical Property:

• Boiling Point: 226.4±40.0 °C(Predicted)
• PSA: 18.46000
• Density: 1.442±0.06 g/cm3(Predicted)
• LogP: 1.31040
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 191.97859
• Heavy Atom Count: 9
• Complexity: 93.2

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C=CCOC(O1)CBr

Technology Process of 2-(Bromomethyl)-4,7-dihydro-2H-1,3-dioxepine

There total 2 articles about 2-(Bromomethyl)-4,7-dihydro-2H-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: 78.0%

1-bromo-2,2-dimethoxyethane (7252-83-7) + 1,4-butenediol (6117-80-2) → 2-bromomethyl-1,3-dioxep-5-ene (117381-06-3)

Guidance literature:

With Dowex 50(H⁺); at 120 ℃; for 1h;

DOI:10.1080/00397919308009850

Reference yield: 70.0%

1,4-butenediol (6117-80-2) + Bromoacetaldehyde diethyl acetal (2032-35-1) → 2-bromomethyl-1,3-dioxep-5-ene (117381-06-3)

Guidance literature:

With toluene-4-sulfonic acid; Heating;

upstream raw materials:

1-bromo-2,2-dimethoxyethane

1,4-butenediol

Bromoacetaldehyde diethyl acetal

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