6,7-Dibromobenzo(1,4)dioxan

Base Information

• Chemical Name: 6,7-Dibromobenzo(1,4)dioxan
• CAS No.: 25812-80-0
• Molecular Formula: C8H6Br2O2
• Molecular Weight: 293.942
• Hs Code.: 2932999099
• European Community (EC) Number: 881-567-9
• DSSTox Substance ID: DTXSID10373030
• Wikidata: Q82161126
• Mol file: 25812-80-0.mol

Synonyms:6,7-DIBROMOBENZO(1,4)DIOXAN;25812-80-0;6,7-Dibromo-2,3-dihydrobenzo[b][1,4]dioxine;6,7-dibromo-2,3-dihydro-1,4-benzodioxine;SCHEMBL3526305;DTXSID10373030;FTSJTAIEXFMURW-UHFFFAOYSA-N;AMY24243;BBL002336;MFCD00463506;STK092309;AKOS004909239;VS-01048;6,7-dibromo-2,3-dihydrobenzo[1,4]dioxine;CS-0155205;FT-0677530;6,7-Dibromo-2,3-dihydro-benzo[1,4]dioxine;N12102;A877471

Chemical Property of 6,7-Dibromobenzo(1,4)dioxan

Chemical Property:

• Vapor Pressure: 0.000866mmHg at 25°C
• Melting Point: 139.6-140.0 °C
• Boiling Point: 314.3°C at 760 mmHg
• Flash Point: 126.8°C
• PSA: 18.46000
• Density: 1.95g/cm³
• LogP: 2.98280
• Storage Temp.: Room temperature.
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 293.87141
• Heavy Atom Count: 12
• Complexity: 147

Purity/Quality:

97% ^*data from raw suppliers

6,7-Dibromobenzo(1,4)dioxan ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1COC2=CC(=C(C=C2O1)Br)Br

Technology Process of 6,7-Dibromobenzo(1,4)dioxan

There total 4 articles about 6,7-Dibromobenzo(1,4)dioxan 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: 90.0%

benzo-1,4-dioxane (493-09-4) → 6,7-dibromo-2,3-dihydrobenzo[b][1,4]dioxine (25812-80-0)

Guidance literature:

With bromine; In dichloromethane; at 20 ℃;

DOI:10.1016/j.tet.2004.07.017

Reference yield:

→ 6,7-dibromo-2,3-dihydrobenzo[b][1,4]dioxine (25812-80-0)

Guidance literature:

With sulfuric acid; copper(I) bromide;

Reference yield:

benzene-1,2-diol (120-80-9,19481-10-8,37349-32-9) → 6,7-dibromo-2,3-dihydrobenzo[b][1,4]dioxine (25812-80-0)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium carbonate; copper powder; glycerol / 190 - 200 °C

2: glacial acetic acid; bromine

With bromine; copper; potassium carbonate; acetic acid; glycerol;

upstream raw materials:

benzo-1,4-dioxane

benzene-1,2-diol

Downstream raw materials:

N-(8-amino-2,3-dihydro-benzo[1,4]dioxin-5-yl)-acetamide

5,8-Bis-acetylamino-2,3-dihydro-benzo[1,4]dioxin

4-(7-bromo-2,3-dihydrobenzo[b][1,4]dioxin-6-yl)aniline

7-acetyl-6-bromo-1,4-benzodioxane