4-(3,5-Dichloro-4-methylphenyl)-4-oxobutanoic acid

Base Information

• Chemical Name: 4-(3,5-Dichloro-4-methylphenyl)-4-oxobutanoic acid
• CAS No.: 62903-05-3
• Molecular Formula: C₁₁H₁₀Cl₂O₃
• Molecular Weight: 261.105
• DSSTox Substance ID: DTXSID00501587
• Nikkaji Number: J27.613H
• Wikidata: Q82354052
• Mol file: 62903-05-3.mol

Synonyms:4-(3,5-Dichloro-4-methylphenyl)-4-oxobutanoic acid;62903-05-3;3-(3,5-Dichloro-4-methylbenzoyl)propionic acid;SCHEMBL8688169;DTXSID00501587;WCJIEUHCYAYRFE-UHFFFAOYSA-N;4-(3,5-Dichloro-4-methylphenyl)-4-oxobutanoicacid

Chemical Property of 4-(3,5-Dichloro-4-methylphenyl)-4-oxobutanoic acid

Chemical Property:

• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 260.0006996
• Heavy Atom Count: 16
• Complexity: 268

Purity/Quality:

98% ^*data from raw suppliers

4-(3,5-Dichloro-4-methylphenyl)-4-oxobutanoicacid 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=C(C=C(C=C1Cl)C(=O)CCC(=O)O)Cl

Technology Process of 4-(3,5-Dichloro-4-methylphenyl)-4-oxobutanoic acid

There total 3 articles about 4-(3,5-Dichloro-4-methylphenyl)-4-oxobutanoic 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:

3-(4-methylbenzoyl)propionic acid (4619-20-9) → 6-(3,5-dichloro-4-methylphenyl-2-(2'-pentynyl)-4,5-dihydropyridazinone + 4-(3,5-dichloro-4-methylphenyl)-4-oxobutyric acid (62903-05-3)

Guidance literature:

With hydrogenchloride; aluminium trichloride; In dichloromethane;

Reference yield:

3-(4-methylbenzoyl)propionic acid (4619-20-9) → 4-(3,5-dichloro-4-methylphenyl)-4-oxobutyric acid (62903-05-3)

Guidance literature:

With hydrogenchloride; chlorine; aluminium trichloride; In 1,1-dichloroethane; hexane; toluene;

Reference yield:

→ 4-(3,5-dichloro-4-methylphenyl)-4-oxobutyric acid (62903-05-3)

Guidance literature:

aus Saeure 1a, 1. Succinoylierung, 2. Chlorierung;

DOI:10.1246/bcsj.52.2441

upstream raw materials:

3-(4-methylbenzoyl)propionic acid

Downstream raw materials:

6-(3,5-dichloro-4-methyl-phenyl)-4,5-dihydro-2H-pyridazin-3-one