Methyl 2,4-dioxopentanoate

Base Information

• Chemical Name: Methyl 2,4-dioxopentanoate
• CAS No.: 20577-61-1
• Molecular Formula: C6H8O4
• Molecular Weight: 144.127
• Hs Code.: 29183000
• European Community (EC) Number: 243-891-3
• DSSTox Substance ID: DTXSID50174583
• Nikkaji Number: J62.813A
• Wikidata: Q72486530
• Mol file: 20577-61-1.mol

Synonyms:Methyl 2,4-dioxopentanoate;20577-61-1;Methyl acetopyruvate;Pentanoic acid, 2,4-dioxo-, methyl ester;methyl acetylpyruvate;EINECS 243-891-3;MFCD00043638;Methyl acetopyruvate, 97%;Methyl2,4-Dioxopentanoate;SCHEMBL351192;Methyl 2,4-dioxopentanoate #;2,4-Dioxopentanoic acid methyl;AMY3225;DTXSID50174583;BCP21705;BBL027990;STK397839;AKOS000305800;2,4-Dioxo-pentanoic acid methyl ester;CS-W009533;Pentanoic acid,2,4-dioxo-,methyl ester;s11875;AS-64372;SY078759;BB 0218002;FT-0628696;EN300-21748;J-013434;J-521893;F0001-0730;Z111869226;ETHYL2-(CHLOROMETHYL)-4-PHENYLQUINOLINE-3-CARBOXYLATEHYDROCHLORIDE

Chemical Property of Methyl 2,4-dioxopentanoate

Chemical Property:

• Appearance/Colour: white or faintly yellow needles
• Vapor Pressure: 0.00067mmHg at 25°C
• Melting Point: 63-64 °C
• Refractive Index: 1.467
• Boiling Point: 195.1 °C at 760 mmHg
• PKA: 6.79±0.46(Predicted)
• Flash Point: 75.5 °C
• PSA: 60.44000
• Density: 1.15 g/cm³
• LogP: -0.29240
• Storage Temp.: 2-8°C
• XLogP3: -0.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 144.04225873
• Heavy Atom Count: 10
• Complexity: 171

Purity/Quality:

99% ^*data from raw suppliers

Methyl2,4-Dioxopentanoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F,Xi
• Hazard Codes: F,Xi
• Statements: 36
• Safety Statements: 24/25-26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(=O)CC(=O)C(=O)OC

Technology Process of Methyl 2,4-dioxopentanoate

There total 3 articles about Methyl 2,4-dioxopentanoate 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: 99.2%

Dimethyl oxalate (553-90-2) + acetone (67-64-1) → methyl 2,4-dioxopentanoate (20577-61-1)

Guidance literature:

With sodium methylate; In methanol; diethyl ether; at 20 ℃;

Reference yield: 26.0%

→ methyl 2,4-dioxopentanoate (20577-61-1)

Guidance literature:

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

Reference yield:

sodium methylate (124-41-4) + oxalic acid diethyl ester (95-92-1) + acetone (67-64-1) → methyl 2,4-dioxopentanoate (20577-61-1)

Guidance literature:

DOI:10.1021/ja01225a032

upstream raw materials:

sodium methylate

oxalic acid diethyl ester

acetone

Dimethyl oxalate

Downstream raw materials:

5-methyl-2-(4-nitro-phenyl)-2H-pyrazole-3-carboxylic acid methyl ester

5-methylisoxazole 3-carboxylic acid

3-methyl-5-isoxazolecarboxylic acid

4-Acetyl-5-(4-chloro-phenyl)-3-hydroxy-1-methyl-1,5-dihydro-pyrrol-2-one

Refernces

• 1、 -. "Benzoxadiazepine tetradecene derivative and application thereof". Paragraph 0075-0079. . Retrieved 2020/07/15.
• 2、 -. "With anti-tumor activity of the 3-substituted pyrazole-5-amide compound and use thereof (by machine translation)". Paragraph 0077; 0078; 0079. . Retrieved 2016/10/09.