Methyl 4-oxopent-2-ynoate

Base Information

• Chemical Name: Methyl 4-oxopent-2-ynoate
• CAS No.: 41726-06-1
• Molecular Formula: C6H6O3
• Molecular Weight: 126.112
• DSSTox Substance ID: DTXSID50473669
• Nikkaji Number: J603.664C
• Wikidata: Q82303244
• Mol file: 41726-06-1.mol

Synonyms:Methyl 4-oxopent-2-ynoate;41726-06-1;SCHEMBL10136741;DTXSID50473669;EN300-7626679

Chemical Property of Methyl 4-oxopent-2-ynoate

Chemical Property:

• XLogP3: 0.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 126.031694049
• Heavy Atom Count: 9
• Complexity: 191

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(=O)C#CC(=O)OC

Technology Process of Methyl 4-oxopent-2-ynoate

There total 1 articles about Methyl 4-oxopent-2-ynoate 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 3,4-dioxo-2-triphenylphosphoranylidenepentanoate → 4-oxopent-2-ynoic acid methyl ester (41726-06-1) + Triphenylphosphine oxide (791-28-6)

Guidance literature:

at 500 ℃; for 1h; under 0.001 - 0.1 Torr;

DOI:10.1039/P19940002467

Reference yield:

4-oxopent-2-ynoic acid methyl ester (41726-06-1) → Methyl (Z)-4-oxo-2-pentenoate (19522-27-1)

Guidance literature:

With methanol; palladium on activated charcoal; Lindlar's catalyst; Hydrogenation;

DOI:10.1039/jr9500001772

Reference yield:

4-oxopent-2-ynoic acid methyl ester (41726-06-1) → 2-acetyl-cyclohex-1-enecarboxylic acid methyl ester (103441-27-6)

Guidance literature:

Multi-step reaction with 2 steps

2: palladium/CaCO₃; methyl acetate / Hydrogenation

With Lindlar's catalyst; acetic acid methyl ester;

DOI:10.1039/jr9500001772

Downstream raw materials:

Methyl (Z)-4-oxo-2-pentenoate

2-acetyl-cyclohexa-1,4-dienecarboxylic acid methyl ester

2-acetyl-cyclohex-1-enecarboxylic acid methyl ester