Dihydro-4,4-dimethyl-2,3-Furandione

Base Information

• Chemical Name: Dihydro-4,4-dimethyl-2,3-Furandione
• CAS No.: 13031-04-4
• Molecular Formula: C6H8 O3
• Molecular Weight: 128.128
• Hs Code.: 2932190090
• European Community (EC) Number: 235-891-7
• DSSTox Substance ID: DTXSID30156448
• Nikkaji Number: J27.237J
• Wikidata: Q27103050
• Metabolomics Workbench ID: 51260
• Mol file: 13031-04-4.mol

Synonyms:keto-pantoyllactone;ketopantolactone;ketopantoyl lactone

Chemical Property of Dihydro-4,4-dimethyl-2,3-Furandione

Chemical Property:

• Vapor Pressure: 0.0122mmHg at 25°C
• Melting Point: 67-69 °C(lit.)
• Boiling Point: 260.5°Cat760mmHg
• Flash Point: 122.8°C
• PSA: 43.37000
• Density: 1.152g/cm³
• LogP: 0.13850
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Solubility.: dichloromethane: soluble25mg/mL, clear, colorless to yellow
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 128.047344113
• Heavy Atom Count: 9
• Complexity: 169

Purity/Quality:

98%,99%, ^*data from raw suppliers

4,4-Dimethyldihydrofuran-2,3-dione ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1(COC(=O)C1=O)C

Technology Process of Dihydro-4,4-dimethyl-2,3-Furandione

There total 16 articles about Dihydro-4,4-dimethyl-2,3-Furandione 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: 99.5%

pantolactone (79-50-5) → ketopantolactone (13031-04-4)

Guidance literature:

With oxygen; In 1,2-dichloro-benzene; at 180 ℃; for 3h;

Reference yield: 95.0%

→ ketopantolactone (13031-04-4)

Guidance literature:

Reference yield: 46.0%

tetraethyl ammonium + pantolactone (79-50-5) → ketopantolactone (13031-04-4) + tetraethylammonium iodide (68-05-3)

Guidance literature:

In chloroform; for 24h; Ambient temperature;

DOI:10.1016/S0040-4020(01)83135-5

upstream raw materials:

lead(IV) tetraacetate

pantolactone

benzene

formaldehyd

Downstream raw materials:

3-[1-Fluoro-2-phenyl-eth-(E)-ylidene]-4,4-dimethyl-dihydro-furan-2-one

3-[1-Fluoro-1-(1-phenyl-vinyloxy)-meth-(Z)-ylidene]-4,4-dimethyl-dihydro-furan-2-one

Refernces

• 1、 Csuk, Rene,Schaade, Martina. "FLUORIDE MEDIATED REACTIONS OF LACTONES WITH SILYL KETENE ACETALS". . p. 3333 - 3348. Retrieved 1994.
• 2、 Hata,Morishita,Akutsu,Kawamura. "Synthesis of dihydro-2,3-furandiones from diethyl oxalate and aldehydes through the action of sodium methoxide". . p. 289 - 291. Retrieved 1991.
• 3、 Fizet. "Synthesis of 4,4-dimethyl-2,3-furanedione". . p. 2024 - 2028. Retrieved 1982.
• 4、 -. "Synthesis process of D-pantolactone as D-calcium pantothenate intermediate". Paragraph 0019. . Retrieved 2021/06/23.
• 5、 -. "Method for producing carbonyl compound". Page/Page column 20-21; 24-25. . Retrieved 2008/06/13.