5-(3,4-DIMETHYLPHENYL)-5-OXOVALERIC ACID

Base Information

• Chemical Name: 5-(3,4-DIMETHYLPHENYL)-5-OXOVALERIC ACID
• CAS No.: 7508-13-6
• Molecular Formula: C13H16O3
• Molecular Weight: 220.268
• Hs Code.: 2918300090
• Mol file: 7508-13-6.mol

Synonyms:5-(3,4-Dimethyl-phenyl)-5-oxo-valeriansaeure;5-(3,4-dimethyl-phenyl)-5-oxo-valeric acid;

Chemical Property of 5-(3,4-DIMETHYLPHENYL)-5-OXOVALERIC ACID

Chemical Property:

• Vapor Pressure: 9.6E-08mmHg at 25°C
• Boiling Point: 418.3°Cat760mmHg
• Flash Point: 220.9°C
• PSA: 54.37000
• Density: 1.114g/cm³
• LogP: 2.74100

Purity/Quality:

99% ^*data from raw suppliers

5-(3,4-Dimethylphenyl)-5-oxovalericacid 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 5-(3,4-DIMETHYLPHENYL)-5-OXOVALERIC ACID

There total 4 articles about 5-(3,4-DIMETHYLPHENYL)-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:

glutaric anhydride, (108-55-4) + o-xylene (95-47-6) → 5-(3,4-dimethyl-phenyl)-5-oxo-valeric acid (7508-13-6)

Guidance literature:

With aluminium trichloride; In nitrobenzene;

DOI:10.1021/jm00271a007

Reference yield:

ethyl glutaroyl chloride (5205-39-0) + o-xylene (95-47-6) → 5-(3,4-dimethyl-phenyl)-5-oxo-valeric acid (7508-13-6)

Guidance literature:

With aluminium trichloride; anschliessend Hydrolyse;

DOI:10.1021/ja01608a023

Reference yield:

o-xylene (95-47-6) + 1,3-cylohexanedione (504-02-9) → 5-(3,4-dimethyl-phenyl)-5-oxo-valeric acid (7508-13-6)

Guidance literature:

With aluminum (III) chloride; In dichloromethane; for 4h; Reflux;

DOI:10.1016/j.bmcl.2015.12.078

upstream raw materials:

ethyl glutaroyl chloride

o-xylene

glutaric anhydride,

1,3-cylohexanedione

Downstream raw materials:

2,3-dimethyl-5-(2-methoxyphenyl)-8,9-dihydro-7H-benzocycloheptene-6-carbaldehyde

2,3-dimethyl-5-(2-methoxyphenyl)-8,9-dihydro-7H-benzocycloheptene-6-carboxylic acid

2,3‐dimethyl‐6,7,8,9‐tetrahydro‐5H‐benzo[7]annulen‐5‐one

8,9-dimethyl-5,6-dihydro-4H-benzo[6,7]cyclohepta[1,2-b]furan-2,3-dione

Refernces

• 1、 Sajja, Yasodakrishna,Vanguru, Sowmya,Vulupala, Hanmanth Reddy,Bantu, Rajashaker,Yogeswari, Perumal,Sriram, Dharmarajan,Nagarapu, Lingaiah. "Design, synthesis and in vitro anti-tuberculosis activity of benzo[6,7]cyclohepta[1,2-b]pyridine-1,2,3-triazole derivatives". . p. 5119 - 5121. Retrieved 2017/11/10.
• 2、 Yadagiri, Bandi,Holagunda, Uma Devi,Bantu, Rajashaker,Nagarapu, Lingaiah,Kumar, C. Ganesh,Pombala, Sujitha,Sridhar. "Synthesis of novel building blocks of benzosuberone bearing coumarin moieties and their evaluation as potential anticancer agents". . p. 260 - 265. Retrieved 2014/05/06.