2,3,5-Trimethylfuran

Base Information

• Chemical Name: 2,3,5-Trimethylfuran
• CAS No.: 10504-04-8
• Molecular Formula: C7H10 O
• Molecular Weight: 110.156
• Hs Code.: 2932190090
• DSSTox Substance ID: DTXSID10146923
• Nikkaji Number: J498.247I
• Wikidata: Q75069202
• Metabolomics Workbench ID: 44011
• Mol file: 10504-04-8.mol

Synonyms:2,3,5-Trimethylfuran;10504-04-8;Furan, 2,3,5-trimethyl-;MFCD03931179;2,3,5-Trimethyl-Furan;2,3,5-trimethyluran;2,3,5-Trimethylfuran #;SCHEMBL182910;SCHEMBL10768398;DTXSID10146923;CHEBI:189311;BBL102599;GEO-02420;STL556402;AKOS005257003;MS-20465;CS-0339599;FT-0609458

Chemical Property of 2,3,5-Trimethylfuran

Chemical Property:

• Vapor Pressure: 14.4mmHg at 25°C
• Boiling Point: 126°Cat760mmHg
• Flash Point: 20°C
• PSA: 13.14000
• Density: 0.909g/cm³
• LogP: 2.20480
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 110.073164938
• Heavy Atom Count: 8
• Complexity: 80.5

Purity/Quality:

97% ^*data from raw suppliers

2,3,5-Trimethylfuran ^*data from reagent suppliers

Safty Information:

• Statements: 11-20/22-36/37/38
• Safety Statements: 16-26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(O1)C)C

Technology Process of 2,3,5-Trimethylfuran

There total 9 articles about 2,3,5-Trimethylfuran 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: 5.0%

2,3,4,6-Tetramethyl-pyrylium-perchlorat → 2,3,5-trimethylfuran (10504-04-8) + (Z)-2-(Acetyloxy)-3-methyl-2-hexen-5-one (145663-42-9) + (Z)-2-(Acetyloxy)-4-methyl-2-hexen-5-one (145663-33-8) + 1-(3,4,5-Trimethylfuran-2-yl)-1-ethanone (73761-50-9)

Guidance literature:

With sodium dihydrogenphosphate; dihydrogen peroxide; In water; at 100 ℃; for 0.333333h;

DOI:10.1016/S0040-4020(01)92277-X

Reference yield:

4,5-dimethyl-2-formylfuran (52480-43-0) → 2,3,5-trimethylfuran (10504-04-8)

Guidance literature:

With sodium hydroxide; hydrazine hydrate; Yield given. Multistep reaction; 1) 1,2-dihydroxyethane a) 0 deg C, 30 min, b) r.t., 1 h, 2) 100 deg C, 1 h;

DOI:10.1002/mrc.1260301122

Reference yield:

2,4,5-trimethylfuran-3-carboxylic acid (28730-32-7) → 2,3,5-trimethylfuran (10504-04-8)

Guidance literature:

With quinoline; copper oxide-chromium oxide;

DOI:10.1002/hlca.193201501125

upstream raw materials:

2,4,5-trimethylfuran-3-carboxylic acid

3,4,6-trimethyl-[1,2]oxathiin-2,2-dioxide

4,5-dimethyl-2-formylfuran

ethyl 2,4,5-trimethylfuran-3-carboxylate

Downstream raw materials:

(Z)-3-Methyl-hex-3-ene-2,5-dione

2,4,5-trimethylthiophene

Acetic acid (Z)-2-methyl-3-oxo-but-1-enyl ester