Dioxane dibromide

Base Information

• Chemical Name: Dioxane dibromide
• CAS No.: 15481-39-7
• Molecular Formula: C4H8Br2O2
• Molecular Weight: 247.914
• Hs Code.: 29329900
• European Community (EC) Number: 678-165-9
• NSC Number: 80646
• DSSTox Substance ID: DTXSID50935070
• Mol file: 15481-39-7.mol

Synonyms:15481-39-7;Dioxane dibromide;1,4-dioxane;molecular bromine;1,4-Diethylene dioxide dibromide;Dioxane bromonium bromide;Dioxyethylene ether dibromide;1,4-dioxane compound with dibromine (1:1);dibromine;C14H17N3O3.ClH;DTXSID50935070;Bromine--1,4-dioxane (1/1);NSC80646;MFCD00034818;NSC-80646;BS-44070;B2719;CS-0447394;D88955

Chemical Property of Dioxane dibromide

Chemical Property:

• Vapor Pressure: 38.2mmHg at 25°C
• Melting Point: 66 °C
• Boiling Point: 95 °C
• Flash Point: 12.2°C
• PSA: 18.46000
• Density: g/cm³
• LogP: 1.72440
• Storage Temp.: Freezer
• Solubility.: soluble in Methanol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 247.88706
• Heavy Atom Count: 8
• Complexity: 26.5

Purity/Quality:

98%,99%, ^*data from raw suppliers

DioxaneBromoniumBromide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1COCCO1.BrBr
• Uses: Dioxane Bromonium Bromide is used in the synthesis of 2-hydroxy glycals. Also used in the preparation of phytoalexins acting as antimicrobial and antioxidants.

Technology Process of Dioxane dibromide

There total 3 articles about Dioxane dibromide 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: 65.0%

1,4-dioxane (123-91-1,28347-88-8,28347-91-3,39449-24-6,54841-74-6) + bromine (7726-95-6) → dioxane dibromide (15481-39-7)

Guidance literature:

at 20 ℃; for 2h; Cooling with ice;

DOI:10.3762/bjoc.8.35

Reference yield: 57.0%

1,4-dioxane (123-91-1,28347-88-8,28347-91-3,39449-24-6,54841-74-6) → dioxane dibromide (15481-39-7)

Guidance literature:

With bromine; at 0 - 23 ℃; for 3h;

DOI:10.1021/acs.orglett.8b00697

Reference yield:

oxirane (75-21-8,99932-75-9) → dioxane dibromide (15481-39-7)

Guidance literature:

With bromine; im geschlossenen Gefaess;

upstream raw materials:

oxirane

1,4-dioxane

bromine

Downstream raw materials:

4-bromo-phenol

ethylene dibromide

6-bromo-2,4-diethoxy-3-methylphenol

3-bromo-7-hydroxy-2H-1-benzopyran-2-one

Refernces

• 1、 Salahi, Farbod,Purohit, Vatsal,Ferraudi, Guillermo,Stauffacher, Cynthia,Wiest, Olaf,Helquist, Paul. "PHP-Tethered N-Acyl Carbamate: A Photocage for Nicotinamide". supporting information. p. 2547 - 2550. Retrieved 2018/05/22.
• 2、 -. "PROCESS FOR THE PREPARATION OF OPTICALLY ACTIVE 2-AMINO-1-PHENYLETHANOLS". Page/Page column 9. . Retrieved 2008/12/06.