5-Bromo-6-methyl-1,3-benzodioxole

Base Information

• Chemical Name: 5-Bromo-6-methyl-1,3-benzodioxole
• CAS No.: 5025-53-6
• Molecular Formula: C8H7 Br O2
• Molecular Weight: 215.046
• Hs Code.: 2932999099
• European Community (EC) Number: 225-712-0
• DSSTox Substance ID: DTXSID60198250
• Nikkaji Number: J203.255D
• Wikidata: Q83071024
• Mol file: 5025-53-6.mol

Synonyms:5-Bromo-6-methyl-1,3-benzodioxole;5025-53-6;5-bromo-6-methylbenzo[d][1,3]dioxole;EINECS 225-712-0;SCHEMBL4594563;2-Brom-4,5-methylendioxytoluol;DTXSID60198250;5-bromo-6-methyl-1,3-dioxaindane;2-bromo-4,5-(methylenedioxy)toluene;AKOS023833300;EN300-192560;Z1681359009

Chemical Property of 5-Bromo-6-methyl-1,3-benzodioxole

Chemical Property:

• Vapor Pressure: 0.0221mmHg at 25°C
• Boiling Point: 258.5°Cat760mmHg
• Flash Point: 117.8°C
• PSA: 18.46000
• Density: 1.615g/cm³
• LogP: 2.48620
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 213.96294
• Heavy Atom Count: 11
• Complexity: 151

Purity/Quality:

98%Min ^*data from raw suppliers

5-bromo-6-methyl-2H-1,3-benzodioxole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC2=C(C=C1Br)OCO2

Technology Process of 5-Bromo-6-methyl-1,3-benzodioxole

There total 4 articles about 5-Bromo-6-methyl-1,3-benzodioxole 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: 99.0%

5-methyl-1,3-benzodioxole (7145-99-5) → 5-bromo-6-methylbenzo[d][1,3]dioxole (5025-53-6)

Guidance literature:

With pyridine; bromine; In dichloromethane; at 0 - 20 ℃; for 22.5h;

Reference yield: 99.0%

5-bromo-6-bromomethylbenzo[1,3]dioxole (5434-47-9) + 4,5-methylenedioxy-2-hydroxybenzaldehyde (4720-68-7) + 4-(dicyanomethylene)-2-methyl-6-(p-dimethylaminostyryl)-4H-pyran (96042-30-7) → 5-bromo-6-methylbenzo[d][1,3]dioxole (5025-53-6)

Guidance literature:

With lithium aluminium tetrahydride; bromine; In tetrahydrofuran; methanol; chloroform; ethyl acetate;

Reference yield: 99.0%

→ 5-bromo-6-methylbenzo[d][1,3]dioxole (5025-53-6)

Guidance literature:

upstream raw materials:

5-methyl-1,3-benzodioxole

6-bromo-3,4-methylenedioxybenzaldehyde

5-bromo-6-bromomethylbenzo[1,3]dioxole

4,5-methylenedioxy-2-hydroxybenzaldehyde

Downstream raw materials:

5-bromo-6-bromomethylbenzo[1,3]dioxole

2-(5-bromobenzo[d][1,3]dioxol-6-yl)acetonitrile

(6-bromobenzo[1,3]dioxol-5-yl)acetic acid

(6-methyl-1,3-benzodioxol-5-yl)carboxaldehyde

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