4-Oxo-6-phenylhex-5-enoic acid

Base Information

• Chemical Name: 4-Oxo-6-phenylhex-5-enoic acid
• CAS No.: 5636-68-0
• Molecular Formula: C₁₂H₁₂O₃
• Molecular Weight: 204.225
• DSSTox Substance ID: DTXSID101305652
• Mol file: 5636-68-0.mol

Synonyms:4-oxo-6-phenylhex-5-enoic acid;Bionet2_001636;DTXSID101305652;AKOS030241043

Chemical Property of 4-Oxo-6-phenylhex-5-enoic acid

Chemical Property:

• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 204.078644241
• Heavy Atom Count: 15
• Complexity: 250

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C=CC(=O)CCC(=O)O

Technology Process of 4-Oxo-6-phenylhex-5-enoic acid

There total 1 articles about 4-Oxo-6-phenylhex-5-enoic acid 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: 75.7%

benzaldehyde (100-52-7) + levulinic acid (123-76-2) → δ-benzylidene levulinic acid (5636-68-0)

Guidance literature:

With piperidine; acetic acid; In benzene; for 72h; Dean-Stark; Reflux;

Reference yield: 70.0%

δ-benzylidene levulinic acid (5636-68-0) → 5-styryl-tetrahydrofuran-2-one

Guidance literature:

With 1,2-bis(dimethylsilyl)ethane; tris(pentafluorophenyl)borate; In dichloromethane; at 20 ℃; for 0.166667h; regioselective reaction; Inert atmosphere;

DOI:10.1055/s-0036-1588488

Reference yield: 47.0%

δ-benzylidene levulinic acid (5636-68-0) + 4-hydrazinobenzene-1-sulfonamide hydrochloride (17852-52-7,27918-19-0) → 2-(4-sulfamylphenyl)-6-(2-phenylethenyl)-4,5-dihydropyridazin-3(2H)-one

Guidance literature:

With triethylamine; In ethanol; for 30h; Reflux;

DOI:10.1016/j.bioorg.2019.103497

upstream raw materials:

benzaldehyde

levulinic acid

Downstream raw materials:

6-(2-phenylethyl-1,2-dibromo)pyridazin-3(2H)-one

2-phenyl-3-(6-oxo-1,6-dihydropyridazin-3-yl)-1,2,3,4-tetrahydroquinoxaline

2-phenyl-3-(6-oxo-1,6-dihydropyridazin-3-yl)quinoxaline

4,5-Dihydro-6-(α-styryl)pyridazin-3(2H)-one