6-Bromo-1,3-benzodioxol-5-ol

Base Information

• Chemical Name: 6-Bromo-1,3-benzodioxol-5-ol
• CAS No.: 6941-70-4
• Molecular Formula: C7H5 Br O3
• Molecular Weight: 217.019
• European Community (EC) Number: 696-256-1
• NSC Number: 22575
• DSSTox Substance ID: DTXSID90281705
• Wikidata: Q82015752
• Mol file: 6941-70-4.mol

Synonyms:6941-70-4;6-bromo-1,3-benzodioxol-5-ol;6-Bromobenzo[d][1,3]dioxol-5-ol;1,3-Benzodioxol-5-ol,6-bromo-;5-Bromo-6-hydroxy-1,3-benzodioxole;NSC22575;SCHEMBL453186;6-bromo-1,3-dioxaindan-5-ol;DTXSID90281705;2-bromo-4,5-methylenedioxyphenol;MFCD21364431;NSC 22575;NSC-22575;AS-78384;B4526;T71241;EN300-1997124

Chemical Property of 6-Bromo-1,3-benzodioxol-5-ol

Chemical Property:

• Vapor Pressure: 0.00185mmHg at 25°C
• Boiling Point: 283.4°Cat760mmHg
• Flash Point: 125.2°C
• Density: 1.883g/cm³
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 215.94221
• Heavy Atom Count: 11
• Complexity: 153

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1OC2=C(O1)C=C(C(=C2)O)Br

Technology Process of 6-Bromo-1,3-benzodioxol-5-ol

There total 2 articles about 6-Bromo-1,3-benzodioxol-5-ol 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: 98.0%

Sesamol (533-31-3) → 2-bromo-4,5-methylenedioxyphenol (6941-70-4)

Guidance literature:

With bromine; In tetrahydrofuran; at 0 ℃; for 0.0833333h;

DOI:10.1016/j.bmc.2009.01.028

Reference yield:

→ 2-bromo-4,5-methylenedioxyphenol (6941-70-4)

Guidance literature:

Reference yield: 99.0%

2-bromo-4,5-methylenedioxyphenol (6941-70-4) + acetic anhydride (108-24-7) → 1-acetoxy-2-bromo-4,5-methylenedioxybenzene (5460-53-7)

Guidance literature:

With pyridine; for 12h;

DOI:10.1021/ol051486x

upstream raw materials:

Sesamol

Downstream raw materials:

5-benzoyloxy-6-bromo-benzo[1,3]dioxole

5-bromo-6-[1]naphthoyloxy-benzo[1,3]dioxole

1-bromo-2-methoxy-4,5-methylenedioxybenzene

1-acetoxy-2-bromo-4,5-methylenedioxybenzene