Methyl 4-(4-chlorophenyl)-4-oxobutanoate

Base Information

• Chemical Name: Methyl 4-(4-chlorophenyl)-4-oxobutanoate
• CAS No.: 7148-01-8
• Molecular Formula: C11H11ClO3
• Molecular Weight: 226.66
• European Community (EC) Number: 809-698-9
• NSC Number: 26054
• DSSTox Substance ID: DTXSID40282469
• Nikkaji Number: J3.610.196B
• Wikidata: Q82016752

Synonyms:methyl 4-(4-chlorophenyl)-4-oxobutanoate;7148-01-8;Methyl-4-(4-chlorophenyl)-4-oxobutanoate;NSC26054;SCHEMBL9263357;DTXSID40282469;SLONBSAYACJVRR-UHFFFAOYSA-N;MFCD09475505;NSC-26054;methyl 3-(4-chlorobenzoyl)propanoate;methyl 3-(4-chlorobenzoyl)propionate;methyl-3-(4-chlorobenzoyl)propionate;AKOS008904421;methyl4-(4-chlorophenyl)-4-oxobutanoate;Methyl 4-(4-chlorophenyl)-4-oxobutanoate, AldrichCPR

Chemical Property of Methyl 4-(4-chlorophenyl)-4-oxobutanoate

Chemical Property:

• Vapor Pressure: 6.38E-05mmHg at 25°C
• Boiling Point: 344.9°Cat760mmHg
• Flash Point: 145.4°C
• Density: 1.219g/cm³
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 226.0396719
• Heavy Atom Count: 15
• Complexity: 232

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Methyl 4-(4-chlorophenyl)-4-oxobutanoate

There total 16 articles about Methyl 4-(4-chlorophenyl)-4-oxobutanoate 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: 99.0%

methanol (67-56-1) + 4-(4-chlorophenyl)-4-oxobutanoic acid (3984-34-7) → methyl 4-(4-chlorophenyl)-4-oxobutanoate (7148-01-8)

Guidance literature:

With N-Bromosuccinimide; at 70 ℃; for 20h;

DOI:10.3390/molecules23092235

Reference yield: 97.0%

4-(4-chlorophenyl)-4-oxobutanoic acid (3984-34-7) → methyl 4-(4-chlorophenyl)-4-oxobutanoate (7148-01-8)

Guidance literature:

With thionyl chloride; In methanol;

Reference yield: 94.0%

C11H11ClO3 → methyl 4-(4-chlorophenyl)-4-oxobutanoate (7148-01-8)

Guidance literature:

With N,N,N,N,-tetramethylethylenediamine; magnesium methanolate; In methanol; at 20 ℃; for 2h;

DOI:10.1039/c7ob00131b

upstream raw materials:

4-(4-chlorophenyl)-4-oxobutanoic acid

diphenyl cadmium

succinic acid monomethylester chloride

dimethyl sulfate

Downstream raw materials:

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

methyl 3-bromo-(4-chlorobenzoyl)propionate

methyl 4-(4-chlorophenyl)-4-hydroxybutanoate

C₁₁H₉ClO₃

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