Methyl 3,5-dioxopentanoate

Base Information

• Chemical Name: Methyl 3,5-dioxopentanoate
• CAS No.: 36568-10-2
• Molecular Formula: C₆H₈O₄
• Molecular Weight: 144.127
• DSSTox Substance ID: DTXSID801276335
• Nikkaji Number: J145.265G
• Mol file: 36568-10-2.mol

Synonyms:36568-10-2;Pentanoic acid, 3,5-dioxo-, methyl ester;3,5-Dioxovaleric acid methyl ester;Methyl 3,5-dioxopentanoate;SCHEMBL2589273;DTXSID801276335

Chemical Property of Methyl 3,5-dioxopentanoate

Chemical Property:

• Boiling Point: 55 - 56 °C (0.1 mmHg)
• PSA: 60.44000
• LogP: -0.29240
• XLogP3: -0.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 144.04225873
• Heavy Atom Count: 10
• Complexity: 150

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)CC(=O)CC=O

Technology Process of Methyl 3,5-dioxopentanoate

There total 2 articles about Methyl 3,5-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:

Methyl formate (107-31-3) + acetoacetic acid methyl ester (105-45-3) → Methyl-3,5-dioxopentanoat (36568-10-2)

Guidance literature:

Multistep reaction; (i) NaH, THF, (ii) nBuLi, hexane, (iii) /BRN= 1734623/;

DOI:10.1139/v74-205

Reference yield:

→ Methyl-3,5-dioxopentanoat (36568-10-2)

Guidance literature:

Acetessigsaeuremethylester, Ameisensaeuremethylester;

DOI:10.1016/S0040-4039(01)85315-6

upstream raw materials:

Methyl formate

acetoacetic acid methyl ester