3-Ethyloxolane-2,4-dione

Base Information

• Chemical Name: 3-Ethyloxolane-2,4-dione
• CAS No.: 5436-14-6
• Molecular Formula: C6H8 O3
• Molecular Weight: 128.128
• Hs Code.: 2932190090
• NSC Number: 21365
• DSSTox Substance ID: DTXSID10281348,DTXSID50901497
• Nikkaji Number: J100.365H
• Mol file: 5436-14-6.mol

Synonyms:3-ethyloxolane-2,4-dione;5436-14-6;NSC21365;2,4(3H,5H)-Furandione, 3-ethyl-;NoName_623;SCHEMBL1742051;2,5H)-Furandione, 3-ethyl-;DTXSID10281348;DTXSID50901497;IEGPSTVVCRQXBD-UHFFFAOYSA-N;NSC-21365;3-Ethyl-2,4(3H,5H)-furandione #

Chemical Property of 3-Ethyloxolane-2,4-dione

Chemical Property:

• Vapor Pressure: 0.00181mmHg at 25°C
• Melting Point: 127-128 °C
• Boiling Point: 292.6°Cat760mmHg
• PKA: 12.00±0.20(Predicted)
• Flash Point: 131.6°C
• PSA: 43.37000
• Density: 1.161g/cm³
• LogP: 0.13850
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 128.047344113
• Heavy Atom Count: 9
• Complexity: 150

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1C(=O)COC1=O

Technology Process of 3-Ethyloxolane-2,4-dione

There total 4 articles about 3-Ethyloxolane-2,4-dione 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: 73.0%

3-acetyltetronic acid (16690-05-4) → 3-ethyl-furan-2,4-dione (5436-14-6)

Guidance literature:

With triethylsilane; boron trifluoride diethyl etherate; In trifluoroacetic acid; Ambient temperature;

Reference yield:

ethyl 2-ethyl-3-oxobutanoate (607-97-6) → 3-ethyl-furan-2,4-dione (5436-14-6)

Guidance literature:

With water; bromine; Erwaermen des Reaktionsprodukts mit kleinen Mengen wss. Bromwasserstoffaaeure;

DOI:10.1021/jo01149a021

Reference yield:

→ 3-ethyl-furan-2,4-dione (5436-14-6)

Guidance literature:

With potassium carbonate;

upstream raw materials:

3-acetyltetronic acid

ethyl 2-ethyl-3-oxobutanoate

Downstream raw materials:

formic acid

butyric acid

chloroethane

methylammonium carbonate