Oxolan-3-one

Base Information

• Chemical Name: Oxolan-3-one
• CAS No.: 22929-52-8
• Molecular Formula: C4H6O2
• Molecular Weight: 86.0904
• Hs Code.: 2932190090
• European Community (EC) Number: 805-925-0
• DSSTox Substance ID: DTXSID80336157
• Nikkaji Number: J510.777F
• Wikidata: Q72465088
• Metabolomics Workbench ID: 38174
• Mol file: 22929-52-8.mol

Synonyms:22929-52-8;3-Oxotetrahydrofuran;Dihydrofuran-3(2H)-one;Oxolan-3-one;Dihydro-3(2H)-furanone;dihydrofuran-3-one;Dihydro-furan-3-one;TETRAHYDROFURAN-3-ONE;3(2H)-Furanone, dihydro-;MFCD07778393;3(2H)-Furanone, dihydro;4,5-dihydro-3(2h)-furanone;oxotetrahydrofuran;Oxolane-3-one;3-ketotetrahydrofuran;tetrahydrofuran-3 -one;dihydrofuran-3 (2H)-one;dihydrofuran-3(2 H)-one;DTXSID80336157;CHEBI:166530;BCP14176;CS-D1574;BBL103228;STL557038;AKOS006282737;PB17440;PS-9364;HY-33900;SY003100;AM20090235;FT-0600069;T2971;EN300-70361

Chemical Property of Oxolan-3-one

Chemical Property:

• Appearance/Colour: WHITE
• Vapor Pressure: 3.72mmHg at 25°C
• Refractive Index: 1.442
• Boiling Point: 151.1 °C at 760 mmHg
• Flash Point: 56.3 °C
• PSA: 26.30000
• Density: 1.128 g/cm³
• LogP: -0.02420
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• XLogP3: -0.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 86.036779430
• Heavy Atom Count: 6
• Complexity: 67.9

Purity/Quality:

99% ^*data from raw suppliers

3-Oxotetrahydrofuran ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 11-19-36/37/38-22
• Safety Statements: 16-26-36/37/39-23

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1COCC1=O

Technology Process of Oxolan-3-one

There total 10 articles about Oxolan-3-one 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%

3-Hydroxytetrahydrofuran (453-20-3,84921-89-1,864447-89-2) → tetrahydrofuran-3-one (22929-52-8)

Guidance literature:

With 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; trichloroisocyanuric acid; In dichloromethane; at -5 - 20 ℃; for 1h; Solvent;

Reference yield: 90.7%

methyl 4-oxotetrahydrofuran-3-carboxylate (57595-23-0) → tetrahydrofuran-3-one (22929-52-8)

Guidance literature:

With sulfuric acid; at 100 ℃; for 3h; Reagent/catalyst; Temperature;

Reference yield: 85.0%

→ tetrahydrofuran-3-one (22929-52-8)

Guidance literature:

upstream raw materials:

3-Hydroxytetrahydrofuran

2,3-dihydro-2H-furan

2,5-dihydrofuran

3-hydroxyfuran

Downstream raw materials:

3-phenyltetrahydrofuran-3-ol

dihydro-furan-3-one-(2,4-dinitro-phenylhydrazone)

3-Hydroxytetrahydrofuran

3-morpholino-4,5-dihydrofuran

Refernces

• 1、 Cai, Ju,Wang, Xin,Qian, Yu,Qiu, Lihua,Hu, Wenhao,Xu, Xinfang. "Gold-Catalyzed Oxidative Cyclization/Aldol Addition of Homopropargyl Alcohols with Isatins". supporting information. p. 369 - 372. Retrieved 2019/01/11.
• 2、 -. "NOVEL PROCESS FOR THE MANUFACTURE OF 3-OXO-TETRAHYDROFURAN". Page/Page column 8; 9. . Retrieved 2014/09/29.