Dihydro-2,5-dimethylfuran-3(2H)-one

Base Information

• Chemical Name: Dihydro-2,5-dimethylfuran-3(2H)-one
• CAS No.: 64026-45-5
• Molecular Formula: C6H10O2
• Molecular Weight: 114.144
• European Community (EC) Number: 251-679-7,251-736-6,264-613-7
• DSSTox Substance ID: DTXSID10955370
• Nikkaji Number: J310.033B
• Mol file: 64026-45-5.mol

Synonyms:2,5-dimethyloxolan-3-one;Dihydro-2,5-dimethylfuran-3(2H)-one;64026-45-5;33794-61-5;EINECS 251-679-7;EINECS 251-736-6;EINECS 264-613-7;trans-Dimethyl-2,5-dihydrofuran-3(2H)-one;33909-95-4;(cis)-Dihydro-2,5-dimethylfuran-3(2H)-one;2,5-dimethyldihydrofuran-3(2h)-one;3(2H)-Furanone,dihydro-2,5-dimethyl-;3(2H)-Furanone, dihydro-2,5-dimethyl-, trans-;3-(2H)-Furanone, dihydro-2,5-dimethyl-, cis-;SCHEMBL183685;DTXSID10955370;2,5-dimethyltetrahydrofuran-3-one;3-Oxo-2,5-dimethyltetrahydrofuran;4,5-Dihydro-2,5-dimethyl-3(2H)-furanone;EN300-243681;3-(2H)-Furanone, dihydro-2,5-dimethyl-, trans-

Chemical Property of Dihydro-2,5-dimethylfuran-3(2H)-one

Chemical Property:

• Boiling Point: 164.5 °C at 760 mmHg
• Flash Point: 55.1 °C
• PSA: 26.30000
• Density: 0.981 g/cm³
• LogP: 0.75280
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 114.068079557
• Heavy Atom Count: 8
• Complexity: 109

Purity/Quality:

99% ^*data from raw suppliers

2,5-dimethyloxolan-3-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CC(=O)C(O1)C

Technology Process of Dihydro-2,5-dimethylfuran-3(2H)-one

There total 5 articles about Dihydro-2,5-dimethylfuran-3(2H)-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: 89.0%

4-carbomethoxy-2,5-dimethyl-3-oxo-tetrahydrofuran (59688-77-6) → 2,5-dimethyl-3-oxo-tetrahydrofuran (64026-45-5)

Guidance literature:

With sulfuric acid; for 2h; Heating;

Reference yield:

3-hexyn-2,5-diol (3031-66-1) → 2,5-dimethyl-3-oxo-tetrahydrofuran (64026-45-5)

Guidance literature:

With mercury(II) sulfate;

Reference yield:

3-hexyn-2,5-diol (3031-66-1) + water (7732-18-5) + mercury(II) sulfate → 2,5-dimethyl-3-oxo-tetrahydrofuran (64026-45-5)

Guidance literature:

by/at 42 degree melting hexyne-(3)-diol-(2.5);

upstream raw materials:

3-hexyn-2,5-diol

4-carbomethoxy-2,5-dimethyl-3-oxo-tetrahydrofuran

water

Downstream raw materials:

2,5-Dimethyl-3-butyl-thiophan

2,5-Dimethyl-3-p-tolyl-tetrahydro-furan-3-ol

2,5-Dimethyl-3-phenyl-tetrahydro-furan-3-ol

2,5-Dimethyl-3-pentyl-tetrahydro-furan-3-ol

Refernces

• 1、 Nootens, C.,Merenyi, R.,Janousek, Z.,Viehe, H. G.. "SPIN DELOCALISATION IN HETEROCYCLIC CAPTODATIVE RADICALS". . p. 1045 - 1054. Retrieved 2007/10/02.