5-(2,5-Dimethoxyphenyl)-5-oxopentanoic acid

Base Information

• Chemical Name: 5-(2,5-Dimethoxyphenyl)-5-oxopentanoic acid
• CAS No.: 63467-20-9
• Molecular Formula: C13H16O5
• Molecular Weight: 252.267
• Hs Code.: 2918990090
• NSC Number: 143630
• DSSTox Substance ID: DTXSID70301470
• Nikkaji Number: J1.402.416F
• Wikidata: Q82045427
• Mol file: 63467-20-9.mol

Synonyms:63467-20-9;5-(2,5-Dimethoxyphenyl)-5-oxopentanoic acid;5-(2,5-DIMETHOXYPHENYL)-5-OXOVALERIC ACID;MFCD00667603;NSC143630;SCHEMBL7823697;DTXSID70301470;LZYOLLXPXIINET-UHFFFAOYSA-N;AKOS005878324;NSC-143630;5-(2,5-dimethoxy-phenyl)-5-oxo-pentanoic acid;5-(2,5-DIMETHOXYPHENYL)-5-OXOVALERICACID

Chemical Property of 5-(2,5-Dimethoxyphenyl)-5-oxopentanoic acid

Chemical Property:

• Vapor Pressure: 8.05E-09mmHg at 25°C
• Boiling Point: 448.3°C at 760 mmHg
• Flash Point: 170.6°C
• PSA: 72.83000
• Density: 1.183g/cm³
• LogP: 2.14140
• 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:

99% ^*data from raw suppliers

5-(2,5-Dimethoxyphenyl)-5-oxovalericacid 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 5-(2,5-Dimethoxyphenyl)-5-oxopentanoic acid

There total 2 articles about 5-(2,5-Dimethoxyphenyl)-5-oxopentanoic 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:

glutaric anhydride, (108-55-4) + 1,4-dimethoxybezene (150-78-7) → 5-(2,5-dimethoxyphenyl)-5-ketopentanoic acid (63467-20-9)

Guidance literature:

With aluminium trichloride; nitrobenzene;

Reference yield:

→ 5-(2,5-dimethoxyphenyl)-5-ketopentanoic acid (63467-20-9)

Guidance literature:

Glutarsaeureanhydrid, Hydrochinon-dimethylether, AlCl3, Nitrobenzol;

Reference yield: 82.0%

5-(2,5-dimethoxyphenyl)-5-ketopentanoic acid (63467-20-9) → 5-(2,5-dimethoxyphenyl)pentanoic acid (63467-21-0)

Guidance literature:

With perchloric acid; hydrogen; palladium on activated charcoal; In methanol; water; at 60 ℃; for 8h; under 2585.7 Torr;

DOI:10.1021/jm00144a012

upstream raw materials:

glutaric anhydride,

1,4-dimethoxybezene

Downstream raw materials:

5-(2,5-dimethoxyphenyl)-5-oxo-pentanoic acid methyl ester

5-(2,5-dimethoxyphenyl)pentanoic acid

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