3-Furancarboxylic acid, 2,5-dihydro-4-methyl-5-oxo-, methyl ester

Base Information

• Chemical Name: 3-Furancarboxylic acid, 2,5-dihydro-4-methyl-5-oxo-, methyl ester
• CAS No.: 54467-57-1
• Molecular Formula: C7H8O4
• DSSTox Substance ID: DTXSID60481230
• Wikidata: Q82316516

Synonyms:54467-57-1;3-Furancarboxylic acid, 2,5-dihydro-4-methyl-5-oxo-, methyl ester;SCHEMBL9733999;DTXSID60481230;AKOS024330323;methyl 4-methyl-5-oxo-2,5-dihydro-3-furancarboxylate

Chemical Property of 3-Furancarboxylic acid, 2,5-dihydro-4-methyl-5-oxo-, methyl ester

Chemical Property:

• XLogP3: 0.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 156.04225873
• Heavy Atom Count: 11
• Complexity: 239

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(COC1=O)C(=O)OC

Technology Process of 3-Furancarboxylic acid, 2,5-dihydro-4-methyl-5-oxo-, methyl ester

There total 1 articles about 3-Furancarboxylic acid, 2,5-dihydro-4-methyl-5-oxo-, methyl ester 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: 68.0%

carbon monoxide (201230-82-2) + Methyl 2-butynoate (23326-27-4) → methyl 4-methyl-2-oxo-2,5-dihydrofuran-3-carboxylate (167421-51-4) + 4-methyl-3-methoxycarbonyl-2,5-dihydrofuran-5-one (54467-57-1)

Guidance literature:

With triethylamine; Co₂Rh₂; In tetrahydrofuran; at 100 ℃; for 18h; under 22800 Torr;

DOI:10.1039/b416657d

Reference yield: 73.0%

4-methyl-3-methoxycarbonyl-2,5-dihydrofuran-5-one (54467-57-1) → 4-methyl-furan-3-carboxylic acid methyl ester (57279-03-5)

Guidance literature:

4-methyl-3-methoxycarbonyl-2,5-dihydrofuran-5-one; With diisobutylaluminium hydride; In tetrahydrofuran; Inert atmosphere;

With toluene-4-sulfonic acid; In methanol; Inert atmosphere;

DOI:10.3987/COM-12-S(N)87

Reference yield:

4-methyl-3-methoxycarbonyl-2,5-dihydrofuran-5-one (54467-57-1) → 4-methyl-3-furancarboxylic acid (101870-15-9)

Guidance literature:

Multi-step reaction with 2 steps

1.1: diisobutylaluminium hydride / tetrahydrofuran / Inert atmosphere

1.2: Inert atmosphere

2.1: potassium hydroxide / methanol / Inert atmosphere

With diisobutylaluminium hydride; potassium hydroxide; In tetrahydrofuran; methanol;

DOI:10.3987/COM-12-S(N)87

upstream raw materials:

carbon monoxide

Methyl 2-butynoate

Downstream raw materials:

4-methyl-3-furancarboxylic acid

4-methyl-furan-3-carboxylic acid methyl ester

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