Methyl 3-oxo-4-pentenoate

Base Information

• Chemical Name: Methyl 3-oxo-4-pentenoate
• CAS No.: 37734-05-7
• Molecular Formula: C6H8O3
• Molecular Weight: 128.128
• DSSTox Substance ID: DTXSID50456053
• Nikkaji Number: J1.522.608K
• Wikidata: Q82278257
• Mol file: 37734-05-7.mol

Synonyms:methyl 3-oxo-4-pentenoate;37734-05-7;methyl acrylylacetate;SCHEMBL2632361;DTXSID50456053;3-Oxo-4-pentenoic acid methyl ester;3-oxo-pent-4-enoic acid methyl ester

Chemical Property of Methyl 3-oxo-4-pentenoate

Chemical Property:

• XLogP3: 0.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 128.047344113
• Heavy Atom Count: 9
• Complexity: 137

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)CC(=O)C=C

Technology Process of Methyl 3-oxo-4-pentenoate

There total 1 articles about Methyl 3-oxo-4-pentenoate 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: 80.0%

methyl endo/exo-3-(bicyclo<2,2,1>hept-5-en-2-yl)-3-oxopropanoate (37734-07-9) → Methyl 3-oxo-4-pentenoate (37734-05-7) + cyclopenta-1,3-diene (542-92-7,25568-84-7,7313-32-8)

Guidance literature:

at 600 ℃; for 1.25h; under 2 Torr;

DOI:10.1071/CH9820799

Reference yield: 95.0%

Methyl 3-oxo-4-pentenoate (37734-05-7) + 4,9-dihydro-9-(p-toluenesulfonyl)-3H-pyrido-<3,4-b>indole (145865-96-9) → C24H24N2O5S

Guidance literature:

In dichloromethane; at 20 ℃; for 2.5h;

DOI:10.3987/com-06-s(k)43

Reference yield: 94.0%

Methyl 3-oxo-4-pentenoate (37734-05-7) + (2E)-3-phenyl-2-propen-1-ol (4407-36-7) → cinnamyl 3-oxo-4-pentenoate

Guidance literature:

With Candida antarctica lipase B immobilized on macroporous resin; at 40 ℃; for 8h; under 10 Torr;

DOI:10.1021/jo001478o

upstream raw materials:

methyl endo/exo-3-(bicyclo<2,2,1>hept-5-en-2-yl)-3-oxopropanoate

Downstream raw materials:

1-Benzyl-6-oxo-2,3,3a,4,5,6-hexahydro-1H-indole-7-carboxylic acid methyl ester

2-Hydroxy-2,3-dimethyl-3-nitro-6-oxocyclohexan-1-carbonsaeuremethylester

Alloyohimbinon

Δ^15,16-1-Benzyl-16-(methoxycarbonyl)-17,21-dioxoyohimbane

Refernces