4-(2,4-DICHLOROPHENYL)-4-OXOBUTYRIC ACID

Base Information

• Chemical Name: 4-(2,4-DICHLOROPHENYL)-4-OXOBUTYRIC ACID
• CAS No.: 58457-57-1
• Molecular Formula: C10H8Cl2O3
• Molecular Weight: 247.078
• Hs Code.: 2918300090
• Mol file: 58457-57-1.mol

Synonyms:4-(2,4-DICHLOROPHENYL)-4-OXOBUTYRIC ACID;4-(2,4-Dichlorophenyl)-4-oxobutanoic acid

Chemical Property of 4-(2,4-DICHLOROPHENYL)-4-OXOBUTYRIC ACID

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 77.5-78 °C(Solv: heptane (142-82-5))
• Boiling Point: 408.739°C at 760 mmHg
• PKA: 4.30±0.17(Predicted)
• Flash Point: 200.999°C
• PSA: 54.37000
• Density: 1.432g/cm³
• LogP: 3.04090
• Storage Temp.: 2-8°C

Purity/Quality:

99% ^*data from raw suppliers

3-(2,4-Dichlorobenzoyl)propionicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: 3-(2,4-Dichlorobenzoyl)propionic Acid is used in the preparation of CCR4 receptor antagonists.

Technology Process of 4-(2,4-DICHLOROPHENYL)-4-OXOBUTYRIC ACID

There total 3 articles about 4-(2,4-DICHLOROPHENYL)-4-OXOBUTYRIC 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%

succinic acid anhydride (108-30-5) + 1,3-Dichlorobenzene (541-73-1) → 4-(2,4-dichlorophenyl)-4-oxobutanoic acid (58457-57-1)

Guidance literature:

With aluminium trichloride; at 80 ℃; for 1h;

Reference yield: 90.0%

4-(2,4-dichloro-phenyl)-4-oxo-butyryl chloride → 4-(2,4-dichlorophenyl)-4-oxobutanoic acid (58457-57-1)

Guidance literature:

With lithium hydroxide; In tetrahydrofuran;

DOI:10.1016/j.bmcl.2004.09.001

Reference yield:

1,3-Dichlorobenzene (541-73-1) → 4-(2,4-dichlorophenyl)-4-oxobutanoic acid (58457-57-1)

Guidance literature:

Multi-step reaction with 2 steps

1: 80 percent / aluminum chloride / 0 - 80 °C

2: 90 percent / aq. LiOH / tetrahydrofuran

With lithium hydroxide; aluminium trichloride; In tetrahydrofuran;

DOI:10.1016/j.bmcl.2004.09.001

upstream raw materials:

succinic acid anhydride

1,3-Dichlorobenzene

Downstream raw materials:

6-(2,4-dichlorophenyl)-4,5-dihydropyridazin-3(2H)-one

(3S,5R)-3-Allyl-1-[2-(tert-butyl-dimethyl-silanyloxy)-ethyl]-5-(2,4-dichloro-phenyl)-pyrrolidin-2-one

[(3R,5R)-1-[2-(tert-Butyl-dimethyl-silanyloxy)-ethyl]-5-(2,4-dichloro-phenyl)-2-oxo-pyrrolidin-3-yl]-acetic acid

[(3R,5R)-3-[(3-Chloro-benzylcarbamoyl)-methyl]-5-(2,4-dichloro-phenyl)-2-oxo-pyrrolidin-1-yl]-acetic acid

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