4-(3,4-DICHLOROPHENYL)-4-OXOBUTYRIC ACID

Base Information

• Chemical Name: 4-(3,4-DICHLOROPHENYL)-4-OXOBUTYRIC ACID
• CAS No.: 50597-19-8
• Molecular Formula: C10H8Cl2O3
• Molecular Weight: 247.078
• Hs Code.: 2918300090
• Mol file: 50597-19-8.mol

Synonyms:Propionicacid, 3-(3,4-dichlorobenzoyl)- (7CI);3-(3,4-Dichlorobenzoyl)propionic acid;NSC 152012;

Chemical Property of 4-(3,4-DICHLOROPHENYL)-4-OXOBUTYRIC ACID

Chemical Property:

• Vapor Pressure: 8.9E-09mmHg at 25°C
• Melting Point: 166-167 °C(Solv: ethanol (64-17-5))
• Refractive Index: 1.573
• Boiling Point: 447.1 °C at 760 mmHg
• PKA: 4.30±0.17(Predicted)
• Flash Point: 224.2 °C
• PSA: 54.37000
• Density: 1.432 g/cm³
• LogP: 3.04090
• Storage Temp.: Sealed in dry,Room Temperature

Purity/Quality:

99% ^*data from raw suppliers

4-(3,4-Dichlorophenyl)-4-oxobutyricacid 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 4-(3,4-DICHLOROPHENYL)-4-OXOBUTYRIC ACID

There total 3 articles about 4-(3,4-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: 92.0%

succinic acid anhydride (108-30-5) + 1,2-dichloro-benzene (95-50-1) → 3-(3,4-dichlorobenzoyl)-propionic acid (50597-19-8)

Guidance literature:

With aluminium trichloride; at 60 ℃; for 2.5h;

DOI:10.1021/jo00303a046

Reference yield: 77.0%

succinic acid anhydride (108-30-5) + 4-bromo-1,2-dichlorobenzene (18282-59-2) → 3-(3,4-dichlorobenzoyl)-propionic acid (50597-19-8)

Guidance literature:

With aluminum (III) chloride; at 0 ℃; for 1h; Reflux;

DOI:10.1021/acs.orglett.9b04253

Reference yield: 77.0%

→ 3-(3,4-dichlorobenzoyl)-propionic acid (50597-19-8)

Guidance literature:

With aluminum (III) chloride; at 0 ℃; for 1h; Reflux;

upstream raw materials:

succinic acid anhydride

1,2-dichloro-benzene

4-bromo-1,2-dichlorobenzene

Downstream raw materials:

4-(3,4-Dichlorophenyl)-4-oxobutanoic acid 1,1-dimethylethyl ester

4-(3,4-dichlorophenyl)butanoic acid

6,7-dichloro-1,2,3,4-tetrahydro-naphthalen-1-one

6,7-Dichloronaphthyl-1-acethydrazide

Refernces

• 1、 Fischer, Patrick D.,Papadopoulos, Evangelos,Dempersmier, Jon M.,Wang, Zi-Fu,Nowak, Rados?aw P.,Donovan, Katherine A.,Kalabathula, Joann,Gorgulla, Christoph,Junghanns, Pierre P.M.,Kabha, Eihab,Dimitrakakis, Nikolaos,Petrov, Ognyan I.,Mitsiades, Constantine,Ducho, Christian,Gelev, Vladimir,Fischer, Eric S.,Wagner, Gerhard,Arthanari, Haribabu. "A biphenyl inhibitor of eIF4E targeting an internal binding site enables the design of cell-permeable PROTAC-degraders". supporting information. . Retrieved 2021/04/23.
• 2、 -. "Asymmetric hydrogenation reaction γ - or δ - ketonato compound (by machine translation)". Paragraph 0048-0053. . Retrieved 2020/03/06.