2-(1,3-Benzodioxol-5-yl)ethyl acetate

Base Information

• Chemical Name: 2-(1,3-Benzodioxol-5-yl)ethyl acetate
• CAS No.: 85263-29-2
• Molecular Formula: C11H12 O4
• Molecular Weight: 208.214
• NSC Number: 190949
• DSSTox Substance ID: DTXSID00307384
• Wikidata: Q82054770

Synonyms:85263-29-2;3,4-(Methylenedioxy)phenethyl acetate;2-(Benzo[d][1,3]dioxol-5-yl)ethyl acetate;2-(1,3-benzodioxol-5-yl)ethyl acetate;NSC190949;1-acetoxy-2-[(3,4-methylenedioxy)phenyl]ethane;SCHEMBL4631570;DTXSID00307384;1,3-Benzodioxole-5-ethanol, 5-acetate;2-(Benzo[d][1,3]dioxol-5-yl)ethylacetate;1 -acetoxy-2-[(3,4-methylenedioxy)phenyl]ethane;1-acetoxy-2-[(3,4-methylenedioxy)-phenyl]ethane

Chemical Property of 2-(1,3-Benzodioxol-5-yl)ethyl acetate

Chemical Property:

• Vapor Pressure: 0.000969mmHg at 25°C
• Boiling Point: 302.8°C at 760 mmHg
• Flash Point: 131.9°C
• Density: 1.225g/cm³
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 208.07355886
• Heavy Atom Count: 15
• Complexity: 229

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OCCC1=CC2=C(C=C1)OCO2

Technology Process of 2-(1,3-Benzodioxol-5-yl)ethyl acetate

There total 2 articles about 2-(1,3-Benzodioxol-5-yl)ethyl 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: 81.0%

3,4-methylenedioxyphenethyl alcohol (6006-82-2) → 1-acetoxy-2-[(3,4-methylenedioxy)phenyl]ethane (85263-29-2)

Guidance literature:

With acetic anhydride; In pyridine;

Reference yield:

→ 1-acetoxy-2-[(3,4-methylenedioxy)phenyl]ethane (85263-29-2)

Guidance literature:

N-<3,4-Methylendioxy-phenaethyl>-acetamid, 1) NaNO2, Acetanhydrid, Eg., 2) Erh. in Bzl.;

Reference yield:

1-acetoxy-2-[(3,4-methylenedioxy)phenyl]ethane (85263-29-2) + sodium hydrogencarbonate (144-55-8) + benzyl chloride (100-44-7) → dibenzyl ether (103-50-4)

Guidance literature:

With sodium hydroxide; bromine; In N-methyl-acetamide; methanol; tetrachloromethane; water;

upstream raw materials:

3,4-methylenedioxyphenethyl alcohol

Downstream raw materials:

dibenzyl ether

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