5-(4-Methoxyphenyl)-5-oxopentanoic acid

Base Information

• Chemical Name: 5-(4-Methoxyphenyl)-5-oxopentanoic acid
• CAS No.: 4609-10-3
• Molecular Formula: C12H14O4
• Molecular Weight: 222.241
• Hs Code.: 2918990090
• European Community (EC) Number: 675-374-7
• NSC Number: 105618
• DSSTox Substance ID: DTXSID80295811
• Nikkaji Number: J1.584.033A
• Wikidata: Q82035975
• ChEMBL ID: CHEMBL3929714
• Mol file: 4609-10-3.mol

Synonyms:5-(4-Methoxyphenyl)-5-oxopentanoic acid;4609-10-3;5-(4-Methoxyphenyl)-5-oxovaleric acid;CHEMBL3929714;MFCD00021789;NSC105618;gamma-anisoylbutyric acid;SCHEMBL99448;DTXSID80295811;4-(4-methoxybenzoyl)butyric acid;4-(4-methoxybenzoyl)butanoic acid;BDBM50205618;AKOS004119512;NSC-105618;p-Methoxybenzenepentanoic acid, 5-oxo-;5-(4-methoxyphenyl)-5-oxopentanoicacid;5-(4-methoxyphenyl)-5-oxo-valeric acid;AS-64184;5-(4-methoxy-phenyl)-5-oxo-pentanoic acid;5-(4-Methoxyphenyl)-5-oxopentanoic acid #;CS-0150421;EN300-50062;W17182;AS-871/43475608;Z361415364

Chemical Property of 5-(4-Methoxyphenyl)-5-oxopentanoic acid

Chemical Property:

• Vapor Pressure: 4.86E-08mmHg at 25°C
• Boiling Point: 426.7°C at 760 mmHg
• Flash Point: 166.6°C
• PSA: 63.60000
• Density: 1.175g/cm³
• LogP: 2.13280
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 222.08920892
• Heavy Atom Count: 16
• Complexity: 241

Purity/Quality:

97% ^*data from raw suppliers

5-(4-Methoxyphenyl)-5-oxovaleric acid ^*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)CCCC(=O)O

Technology Process of 5-(4-Methoxyphenyl)-5-oxopentanoic acid

There total 24 articles about 5-(4-Methoxyphenyl)-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: 96.0%

glutaric anhydride, (108-55-4) + methoxybenzene (100-66-3) → 5-(4-methoxyphenyl)-5-oxopentanoic acid (4609-10-3)

Guidance literature:

With aluminum (III) chloride; at 60 ℃; Ionic liquid; Irradiation;

DOI:10.1134/S107036321409031X

Reference yield: 73.0%

cis-2-(4-methoxyphenyl)cyclohexylamine → 5-(4-methoxyphenyl)-5-oxopentanoic acid (4609-10-3)

Guidance literature:

With rose bengal; oxygen; In 1,4-dioxane; at 25 ℃; for 24h; Reagent/catalyst; Solvent; Time; Catalytic behavior; Irradiation;

DOI:10.1002/chem.201604440

Reference yield: 61.0%

(Z)-5-chloro-5-(4-methoxyphenyl)pent-4-enoyl chloride → 5-(4-methoxyphenyl)-5-oxopentanoic acid (4609-10-3)

Guidance literature:

With sodium hydroxide; at 20 ℃;

DOI:10.3762/BJOC.17.36

upstream raw materials:

glutaric anhydride,

methoxybenzene

1-(p-methoxyphenyl)-1-cyclopentene

5-(4-methoxyphenyl)pentanoic acid

Downstream raw materials:

4-(p-Hydroxybenzoyl)-buttersaeure-ethylester

5-Oxo-5-<4-methoxy-phenyl>-valeriansaeure-amid

5-(4-Hydroxy-phenyl)-5-oxo-pentanenitrile

4-[(4-Acetyl-3-hydroxy-2-propylphenyl)methoxy]-δ-oxobenzenepentanoic acid