methyl 2-(6-bromo-2H-1,3-benzodioxol-5-yl)acetate

Base Information

• Chemical Name: methyl 2-(6-bromo-2H-1,3-benzodioxol-5-yl)acetate
• CAS No.: 51665-84-0
• Molecular Formula: C10H9 Br O4
• Molecular Weight: 273.0801
• Hs Code.: 2932999099
• NSC Number: 127692
• DSSTox Substance ID: DTXSID50965953
• Nikkaji Number: J2.060.340B
• Wikidata: Q82948280
• Mol file: 51665-84-0.mol

Synonyms:51665-84-0;methyl 2-(6-bromo-2H-1,3-benzodioxol-5-yl)acetate;Methyl 2-(6-bromobenzo[d][1,3]dioxol-5-yl)acetate;methyl 2-(6-bromo-1,3-benzodioxol-5-yl)acetate;NSC127692;SCHEMBL6964594;DTXSID50965953;MFCD09865161;AKOS015888728;FF-0703;NSC-127692;FT-0683880;EN300-732946;methyl 2-(6-bromo-1,3-dioxaindan-5-yl)acetate;J-521855;Methyl (6-bromo-2H-1,3-benzodioxol-5-yl)acetate;Methyl2-(6-bromobenzo[d][1,3]dioxol-5-yl)acetate;METHYL (6-BROMO-1,3-BENZODIOXOL-5-YL)ACETATE

Chemical Property of methyl 2-(6-bromo-2H-1,3-benzodioxol-5-yl)acetate

Chemical Property:

• Vapor Pressure: 0.000187mmHg at 25°C
• Melting Point: 82-84 °C(Solv: methanol (67-56-1))
• Boiling Point: 328.6°C at 760 mmHg
• Flash Point: 152.6°C
• PSA: 44.76000
• Density: 1.61g/cm³
• LogP: 1.89330
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 271.96842
• Heavy Atom Count: 15
• Complexity: 246

Purity/Quality:

98%min ^*data from raw suppliers

Methyl 2-(6-bromo-2H-1,3-benzodioxol-5-yl)acetate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of methyl 2-(6-bromo-2H-1,3-benzodioxol-5-yl)acetate

There total 5 articles about methyl 2-(6-bromo-2H-1,3-benzodioxol-5-yl)acetate 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%

methanol (67-56-1) + (6-bromobenzo[1,3]dioxol-5-yl)acetic acid (5470-14-4) → methyl (6-bromobenzo<1,3>dioxol-5-yl)acetate (51665-84-0)

Guidance literature:

With sulfuric acid; for 0.5h; Reflux;

DOI:10.1016/j.tet.2013.07.095

Reference yield: 84.0%

benzo[1,3]dioxol-5-yl-acetic acid methyl ester (326-59-0) → methyl (6-bromobenzo<1,3>dioxol-5-yl)acetate (51665-84-0)

Guidance literature:

With bromine; acetic acid; for 0.5h; Ambient temperature;

DOI:10.1021/jm9700068

Reference yield:

1,3-benzodioxole-5-acetic acid (2861-28-1) → methyl (6-bromobenzo<1,3>dioxol-5-yl)acetate (51665-84-0)

Guidance literature:

Multi-step reaction with 2 steps

1: 100 percent / AcCl / various solvent(s)

2: 84 percent / Br₂, AcOH / 0.5 h / Ambient temperature

With bromine; acetic acid; acetyl chloride; In various solvent(s);

DOI:10.1021/jm9700068

upstream raw materials:

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

benzo[1,3]dioxol-5-yl-acetic acid methyl ester

1,3-benzodioxole-5-acetic acid

methanol

Downstream raw materials:

methyl (3,4-methylenedioxy)-6-cyanophenylacetate

(2',3'-dimethoxy-4,5-methylendioxybiphenyl-2-yl)-N-methylacetamide

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

7-(benzyloxy)-1-((6-bromobenzo[d][1,3]dioxol-5-yl)methyl)-6-methoxyisochroman