5-(2,4-Dimethoxyphenyl)-5-oxovaleric acid

Base Information

• Chemical Name: 5-(2,4-Dimethoxyphenyl)-5-oxovaleric acid
• CAS No.: 4654-07-3
• Molecular Formula: C₁₃H₁₆O₅
• Molecular Weight: 252.267
• European Community (EC) Number: 658-310-2
• DSSTox Substance ID: DTXSID80405514
• Wikidata: Q82210101
• Mol file: 4654-07-3.mol

Synonyms:5-(2,4-DIMETHOXYPHENYL)-5-OXOVALERIC ACID;4654-07-3;5-(2,4-dimethoxyphenyl)-5-oxopentanoic acid;MFCD01104772;SCHEMBL14930210;DTXSID80405514;AKOS009164692;5-(2,4-dimethoxyphenyl)-5-oxopentanoicacid

Chemical Property of 5-(2,4-Dimethoxyphenyl)-5-oxovaleric acid

Chemical Property:

• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 252.09977361
• Heavy Atom Count: 18
• Complexity: 289

Purity/Quality:

5-(2,4-Dimethoxyphenyl)-5-oxovaleric acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 5-(2,4-Dimethoxyphenyl)-5-oxovaleric acid

There total 2 articles about 5-(2,4-Dimethoxyphenyl)-5-oxovaleric 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: 41.0%

glutaric anhydride, (108-55-4) + 1,3-Dimethoxybenzene (151-10-0) → 5-(2,4-dimethoxyphenyl)-5-oxopentanoic acid (4654-07-3)

Guidance literature:

With aluminium trichloride; In dichloromethane; for 3h;

DOI:10.1021/jm00113a014

Reference yield:

→ 5-(2,4-dimethoxyphenyl)-5-oxopentanoic acid (4654-07-3)

Guidance literature:

Resorcin-dimethylaether, Glutarsaeure-anhydrid, AlCl3, Nitrobenzol, -5grad;

Reference yield:

ethanol (64-17-5) + 5-(2,4-dimethoxyphenyl)-5-oxopentanoic acid (4654-07-3) → 5-(2,4-dimethoxy-phenyl)-5-oxo-valeric acid ethyl ester (898758-15-1)

Guidance literature:

With sulfuric acid; for 2h; Reflux;

upstream raw materials:

glutaric anhydride,

1,3-Dimethoxybenzene

Downstream raw materials:

5-(2,4-dimethoxyphenyl)pentanoic acid

5-(2,4-dimethoxy-phenyl)-5-oxo-valeric acid ethyl ester

5-(2,4-dihydroxyphenyl)-5-oxopentanenitrile

5-(2,4-dimethoxyphenyl)-5-oxopentanenitrile

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