6-(4-Methoxyphenyl)-4,6-dioxohexanoic acid

Base Information

• Chemical Name: 6-(4-Methoxyphenyl)-4,6-dioxohexanoic acid
• CAS No.: 119600-38-3
• Molecular Formula: C13H14O5
• Molecular Weight: 250.251
• DSSTox Substance ID: DTXSID90562001
• Nikkaji Number: J316.925A
• Wikidata: Q82445967
• Mol file: 119600-38-3.mol

Synonyms:6-(4-Methoxyphenyl)-4,6-dioxohexanoic acid;119600-38-3;Benzenehexanoic acid, 4-methoxy-gamma,epsilon-dioxo-;6-(4-Methoxyphenyl)-4,6-dioxohexanoicacid;DTXSID90562001;BS-49509;CS-0188034;E76105

Chemical Property of 6-(4-Methoxyphenyl)-4,6-dioxohexanoic acid

Chemical Property:

• PSA: 80.67000
• LogP: 1.70190
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 250.08412354
• Heavy Atom Count: 18
• Complexity: 315

Purity/Quality:

99% ^*data from raw suppliers

6-(4-Methoxyphenyl)-4,6-dioxohexanoicacid 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)C(=O)CC(=O)CCC(=O)O

Technology Process of 6-(4-Methoxyphenyl)-4,6-dioxohexanoic acid

There total 4 articles about 6-(4-Methoxyphenyl)-4,6-dioxohexanoic 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:

succinic acid anhydride (108-30-5) + 1-(4-methoxyphenyl)ethanone (100-06-1) → 6-(4-Methoxyphenyl)-4,6-dioxohexanoic acid (119600-38-3)

Guidance literature:

With lithium hexamethyldisilazane; Yield given. Multistep reaction; 1) -78 deg C, 2) RT, 24 h;

DOI:10.1016/S0040-4039(00)73949-9

Reference yield:

Succinic acid mono-[1-(4-chloro-phenyl)-vinyl] ester (152036-68-5) + 1-(4-methoxyphenyl)ethanone (100-06-1) → 6-(4-Methoxyphenyl)-4,6-dioxohexanoic acid (119600-38-3)

Guidance literature:

With lithium hexamethyldisilazane; Yield given. Multistep reaction; 1) -75 deg C, 2) RT, overnight;

DOI:10.1016/S0040-4039(00)73949-9

Reference yield:

Succinic acid mono-[1-(4-methoxy-phenyl)-vinyl] ester (152036-65-2) + 1-(4-methoxyphenyl)ethanone (100-06-1) → 6-(4-Methoxyphenyl)-4,6-dioxohexanoic acid (119600-38-3)

Guidance literature:

With lithium hexamethyldisilazane; Yield given. Multistep reaction; 1) -75 deg C, 2) RT, overnight;

DOI:10.1016/S0040-4039(00)73949-9

upstream raw materials:

succinic acid anhydride

1-(4-methoxyphenyl)ethanone

4-methoxy-benzoyl chloride

levulinic acid

Downstream raw materials:

C₁₇H₁₅ClN₄O₃

3-[1-(4-Chloro-phenyl)-5-(4-methoxy-phenyl)-1H-pyrazol-3-yl]-N-hydroxy-N-methyl-propionamide

3-[1-(4-Chloro-phenyl)-5-(4-methoxy-phenyl)-1H-pyrazol-3-yl]-propionic acid

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