2,3-Pentadienoic acid, 2-methyl-, ethyl ester

Base Information

• Chemical Name: 2,3-Pentadienoic acid, 2-methyl-, ethyl ester
• CAS No.: 24642-00-0
• Molecular Formula: C8H12O2
• Molecular Weight: 140.182
• DSSTox Substance ID: DTXSID40486566
• Nikkaji Number: J1.520.443E
• Mol file: 24642-00-0.mol

Synonyms:24642-00-0;2,3-Pentadienoic acid, 2-methyl-, ethyl ester;SCHEMBL340679;DTXSID40486566

Chemical Property of 2,3-Pentadienoic acid, 2-methyl-, ethyl ester

Chemical Property:

• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 140.083729621
• Heavy Atom Count: 10
• Complexity: 174

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C(=C=CC)C

Technology Process of 2,3-Pentadienoic acid, 2-methyl-, ethyl ester

There total 1 articles about 2,3-Pentadienoic acid, 2-methyl-, ethyl 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: 91.0%

{C5H5(CO)Fe}2(μ-CH3CHCC(CH3)CO2CH3) → cyclopentadienyl iron(II) dicarbonyl dimer (38117-54-3) + ethyl 2-methylpenta-2,3-dienoate (24642-00-0)

Guidance literature:

With carbon monoxide; In benzene-d6; Fe complex was heated at 62°C in an CO atmosphere; monitored by NMR;

DOI:10.1021/ja00229a025

Reference yield: 97.0%

ethyl 2-methylpenta-2,3-dienoate (24642-00-0) + N-(2-formylphenyl)benzamide (33768-43-3) → ethyl 2-methyl-2-(3-methylquinolin-2-yl)-3-oxo-3-phenyl-propanoate

Guidance literature:

With potassium carbonate; In dimethyl sulfoxide; at 100 ℃; for 0.25h;

DOI:10.1039/c8cc04904a

Reference yield: 95.0%

ethyl 2-methylpenta-2,3-dienoate (24642-00-0) + benzaldehyde (100-52-7) → ethyl 5-hydroxy-2,4-dimethyl-5-phenyl-2,3-pentadienoate

Guidance literature:

With 1-methyl-2,3,4,6,7,8-hexahydro-1H-pyrimido[1,2-a]pyrimidine; In N,N-dimethyl-formamide; at 20 ℃; for 1.5h; Schlenk technique; Inert atmosphere;

DOI:10.1055/s-0033-1339471

Downstream raw materials:

4-(Z)-ethylidene-5-methyl-3-phenyl-4,5-dihydro-isoxazole-5-carboxylic acid ethyl ester

4-(E)-ethylidene-5-methyl-3-phenyl-4,5-dihydro-isoxazole-5-carboxylic acid ethyl ester

[((C₆H₅)3P)Au(CCH(CH₃)OC(O)C(CH₃))]

C₁₆H₂₀O₃