1,2-Bis(1,3-benzodioxol-5-yl)ethanone

Base Information

• Chemical Name: 1,2-Bis(1,3-benzodioxol-5-yl)ethanone
• CAS No.: 50463-29-1
• Molecular Formula: C16H12 O5
• Molecular Weight: 284.268
• NSC Number: 26819
• DSSTox Substance ID: DTXSID30282610
• Nikkaji Number: J371.272I
• Wikidata: Q82016933
• Mol file: 50463-29-1.mol

Synonyms:50463-29-1;1,2-bis(1,3-benzodioxol-5-yl)ethanone;NSC26819;SCHEMBL109197;DTXSID30282610;NSC-26819

Chemical Property of 1,2-Bis(1,3-benzodioxol-5-yl)ethanone

Chemical Property:

• Vapor Pressure: 3.8E-09mmHg at 25°C
• Boiling Point: 473.9°Cat760mmHg
• Flash Point: 213.5°C
• Density: 1.393g/cm³
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 284.06847348
• Heavy Atom Count: 21
• Complexity: 398

Purity/Quality:

99% ^*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)CC(=O)C3=CC4=C(C=C3)OCO4

Technology Process of 1,2-Bis(1,3-benzodioxol-5-yl)ethanone

There total 8 articles about 1,2-Bis(1,3-benzodioxol-5-yl)ethanone 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: 95.0%

piperoin (4720-82-5) → 3,4-methylenedioxybenzyl 3,4-methylenedioxyphenyl ketone (50463-29-1)

Guidance literature:

With trimethylsilyl iodide; In chloroform; for 3h;

Reference yield: 15.0%

(2R*,3R*)-2,3-bis(benzo[d][1,3]dioxol-5-yl)oxirane (90522-24-0,128935-19-3) → 3,4-methylenedioxybenzyl 3,4-methylenedioxyphenyl ketone (50463-29-1) + bis(3,4-methylenedioxy)acetaldehyde (90522-25-1)

Guidance literature:

With naphthalene-1,4-dicarbonitrile; 2-buten-4-olide; In acetonitrile; at 10 ℃; for 10h; Irradiation;

DOI:10.1039/P19900000153

Reference yield: 15.0%

bis(3,4-methylenedioxyphenyl)oxirane → 3,4-methylenedioxybenzyl 3,4-methylenedioxyphenyl ketone (50463-29-1) + bis(3,4-methylenedioxy)acetaldehyde (90522-25-1)

Guidance literature:

With naphthalene-1,4-dicarbonitrile; acrylic acid methyl ester; Irradiation;

DOI:10.1039/c39840000134

upstream raw materials:

piperoin

piperonal

<(Dimethylamino)(1,3-benzodioxol-5-yl)methyl>phosphonic Bis(dimethylamide)

(2R*,3R*)-2,3-bis(benzo[d][1,3]dioxol-5-yl)oxirane

Downstream raw materials:

ethyl 4-hydroxy-3,4-di-(4-methoxyphenyl)-2-butenoate

ethyl 3-(3,4-methylenedioxybenzoyl)-3-(3,4-methylenedioxyphenyl)propionate

1,2-bis(4-methoxyphenyl)-1,2-ethanedione

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