4-Furan-2-yl-2,4-dioxo-butyric acid methyl ester

Base Information

• Chemical Name: 4-Furan-2-yl-2,4-dioxo-butyric acid methyl ester
• CAS No.: 374063-90-8
• Molecular Formula: C9H8O5
• Molecular Weight: 196.16
• Hs Code.: 2932190090
• European Community (EC) Number: 824-309-2
• DSSTox Substance ID: DTXSID70377973
• Nikkaji Number: J3.147.369A
• Wikidata: Q82167386
• Mol file: 374063-90-8.mol

Synonyms:374063-90-8;methyl 4-(furan-2-yl)-2,4-dioxobutanoate;4-Furan-2-yl-2,4-dioxo-butyric acid methyl ester;methyl 4-(2-furyl)-2,4-dioxobutanoate;MFCD03307787;methyl 2,4-dioxo-4-(2-furyl)-4-ylbutanoate;SCHEMBL1061461;DTXSID70377973;ZPA06390;BBL008319;STK299963;AKOS000267077;SB61504;Methyl 4-furan-2-yl-2,4-dioxobutyrate;NS-01931;methyl 4-(2-furyl)-2,4-dioxo-butanoate;methyl4-(furan-2-yl)-2,4-dioxobutanoate;BB 0219017;EU-0086606;FT-0644524;EN300-13929;methyl 2,4-dioxo-4-(fur-2-yl)-4-ylbutanoate;4-(2-Furyl)-2,4-dioxobutanoic acid methyl ester;A823628;SR-01000539645;4-(2-furanyl)-2,4-dioxobutanoic acid methyl ester;SR-01000539645-1;Z94601360;F3250-0664

Chemical Property of 4-Furan-2-yl-2,4-dioxo-butyric acid methyl ester

Chemical Property:

• Vapor Pressure: 0.000172mmHg at 25°C
• Refractive Index: 1.487
• Boiling Point: 329.9 °C at 760 mmHg
• Flash Point: 153.3 °C
• PSA: 73.58000
• Density: 1.274 g/cm³
• LogP: 0.59450
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 196.03717335
• Heavy Atom Count: 14
• Complexity: 258

Purity/Quality:

97% ^*data from raw suppliers

methyl4-(furan-2-yl)-2,4-dioxobutanoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi; F
• Hazard Codes: Xi,F

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C(=O)CC(=O)C1=CC=CO1

Technology Process of 4-Furan-2-yl-2,4-dioxo-butyric acid methyl ester

There total 4 articles about 4-Furan-2-yl-2,4-dioxo-butyric acid 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: 95.0%

Dimethyl oxalate (553-90-2) + 1-(2-furyl)-1-ethanone (1192-62-7,80145-44-4) + sodium methylate (124-41-4) → methyl 4-(furan-2-yl)-2,4-dioxobutanoate (374063-90-8)

Guidance literature:

In tetrahydrofuran; methanol; water; ethyl acetate;

Reference yield: 89.9%

Dimethyl oxalate (553-90-2) + 1-(2-furyl)-1-ethanone (1192-62-7,80145-44-4) → methyl 4-(furan-2-yl)-2,4-dioxobutanoate (374063-90-8)

Guidance literature:

1-(2-furyl)-1-ethanone; With lithium hexamethyldisilazane; In tetrahydrofuran; at -78 ℃; for 0.5h;

Dimethyl oxalate; In tetrahydrofuran; at -78 - 20 ℃;

Reference yield: 35.0%

1-(2-furyl)-1-ethanone (1192-62-7,80145-44-4) + oxalic acid diethyl ester (95-92-1) → methyl 4-(furan-2-yl)-2,4-dioxobutanoate (374063-90-8)

Guidance literature:

With sodium; In methanol; at 20 ℃; for 1h; Inert atmosphere;

upstream raw materials:

Dimethyl oxalate

1-(2-furyl)-1-ethanone

sodium methylate

oxalic acid diethyl ester

Downstream raw materials:

methyl 5-(furan-2-yl)-1-(4-methoxyphenyl)-1H-pyrazole-3-carboxylate

4-(2-furoyl)-3-hydroxy-1-(1-methyltetrazol-5-yl)-5-phenyl-2,5-dihydro-1H-pyrrol-2-one

1-(2-chlorophenyl)-3-(methoxycarbonyl)-1H-pyrazole-5-carboxylic acid

methyl 1-(2-chlorophenyl)-5-(2-(3-(methylsulfonyl)benzoyl)hydrazinecarbonyl)-1H-pyrazole-3-carboxylate