4-(2-Chlorophenyl)-4-oxobutanoic acid

Base Information

• Chemical Name: 4-(2-Chlorophenyl)-4-oxobutanoic acid
• CAS No.: 106263-50-7
• Molecular Formula: C10H9ClO3
• Molecular Weight: 212.63
• Hs Code.: 2918300090
• DSSTox Substance ID: DTXSID80604500
• Wikidata: Q82502472
• Mol file: 106263-50-7.mol

Synonyms:4-(2-Chlorophenyl)-4-oxobutanoic acid;106263-50-7;4-(2-CHLOROPHENYL)-4-OXOBUTYRIC ACID;MFCD03844205;SCHEMBL10576213;DTXSID80604500;4-(2-Chlorophenyl)-4-oxobutanoicacid;AKOS010909591;NS-02410;CS-0156710

Chemical Property of 4-(2-Chlorophenyl)-4-oxobutanoic acid

Chemical Property:

• Vapor Pressure: 6.31E-06mmHg at 25°C
• Boiling Point: 363.7°C at 760 mmHg
• Flash Point: 173.7°C
• PSA: 54.37000
• Density: 1.324g/cm³
• LogP: 2.38750
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 212.0240218
• Heavy Atom Count: 14
• Complexity: 227

Purity/Quality:

97% ^*data from raw suppliers

4-(2-Chlorophenyl)-4-oxobutanoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)C(=O)CCC(=O)O)Cl

Technology Process of 4-(2-Chlorophenyl)-4-oxobutanoic acid

There total 5 articles about 4-(2-Chlorophenyl)-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: 56.0%

succinic acid anhydride (108-30-5) + 2-bromo-1-chlorobenzene (694-80-4) → 4-(2-chlorophenyl)-4-oxobutanoic acid (106263-50-7)

Guidance literature:

2-bromo-1-chlorobenzene; With magnesium; In tetrahydrofuran; at -40 ℃;

succinic acid anhydride; In tetrahydrofuran; at -40 ℃; for 1.5h;

DOI:10.1021/acs.orglett.9b04253

Reference yield: 56.0%

→ 4-(2-chlorophenyl)-4-oxobutanoic acid (106263-50-7)

Guidance literature:

With bromobenzene; magnesium; In tetrahydrofuran; at -40 - 0 ℃; for 1.5h;

Reference yield:

→ 4-(2-chlorophenyl)-4-oxobutanoic acid (106263-50-7)

Guidance literature:

DOI:10.1021/jo01150a010

upstream raw materials:

succinic acid anhydride

para-dichlorobenzene

chlorobenzene

2-bromo-1-chlorobenzene

Downstream raw materials:

2-(2-chlorophenyl)pyridazino<1,6-a>benzimidazole

6-(2-chlorophenyl)-2-(2-nitrophenyl)-3(2H)-pyridazinone

4,5-dihydro-2-(2-nitrophenyl)-6-<2-(chlorophenyl)>-3(2H)-pyridazinone