Ethyl alpha-formyl-1,3-benzodioxole-5-propanoate

Base Information

• Chemical Name: Ethyl alpha-formyl-1,3-benzodioxole-5-propanoate
• CAS No.: 72716-70-2
• Molecular Formula: C13H14 O5
• Molecular Weight: 250.251
• Hs Code.: 2932999099
• European Community (EC) Number: 276-778-2
• DSSTox Substance ID: DTXSID10993530
• Nikkaji Number: J296.348E
• Mol file: 72716-70-2.mol

Synonyms:72716-70-2;EINECS 276-778-2;Ethyl alpha-formyl-1,3-benzodioxole-5-propanoate;SCHEMBL3175098;DTXSID10993530;MPWATBGBEKGSJA-UHFFFAOYSA-N;ethyl 2-formyl-3-(3,4-methylenedioxyphenyl)-propionate;alpha-Formyl-1,3-benzodioxole-5-propionic acid ethyl ester;Ethyl 2-[(2H-1,3-benzodioxol-5-yl)methyl]-3-oxopropanoate

Chemical Property of Ethyl alpha-formyl-1,3-benzodioxole-5-propanoate

Chemical Property:

• Boiling Point: 354.56oC at 760 mmHg
• Flash Point: 185.331oC
• PSA: 61.83000
• Density: 1.247g/cm3
• LogP: 1.33600
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 250.08412354
• Heavy Atom Count: 18
• Complexity: 304

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C(CC1=CC2=C(C=C1)OCO2)C=O

Technology Process of Ethyl alpha-formyl-1,3-benzodioxole-5-propanoate

There total 1 articles about Ethyl alpha-formyl-1,3-benzodioxole-5-propanoate 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:

3-benzo[1,3]dioxol-5-yl-propionic acid ethyl ester (7116-48-5) + formic acid ethyl ester (109-94-4) → ethyl 2-formyl-3-(3,4-methylenedioxyphenyl)-propionate (72716-70-2)

Guidance literature:

3-benzo[1,3]dioxol-5-yl-propionic acid ethyl ester; With sodium hydride; In tetrahydrofuran; at 20 - 40 ℃; for 0.25h;

formic acid ethyl ester; In tetrahydrofuran; for 5.5h; Product distribution / selectivity;

upstream raw materials:

3-benzo[1,3]dioxol-5-yl-propionic acid ethyl ester

formic acid ethyl ester

Refernces