3-(3,4-Dichlorophenyl)-3-oxo-propionic acid methyl ester

Base Information

• Chemical Name: 3-(3,4-Dichlorophenyl)-3-oxo-propionic acid methyl ester
• CAS No.: 677326-67-9
• Molecular Formula: C10H8Cl2O3
• Molecular Weight: 247.078
• Hs Code.: 2918300090
• European Community (EC) Number: 673-466-1
• Mol file: 677326-67-9.mol

Synonyms:677326-67-9;methyl 3-(3,4-dichlorophenyl)-3-oxopropanoate;3-(3,4-Dichlorophenyl)-3-oxo-propionic acid methyl ester;SCHEMBL4109568;3-(3,4-dichloro-phenyl)-3-oxo-propionic acid methyl ester;HEHYOAAIZBKHJZ-UHFFFAOYSA-N;AKOS017549518;methyl3-(3,4-dichlorophenyl)-3-oxopropanoate;EN300-1127044;3-(3,4-dichlorophenyl)-3-oxo-propionic acidmethyl ester;3-(3,4-dichlorophenyl)-3-oxopropanoic acid methyl ester;3-(3,4-dichloro-phenyl)-3-oxo-propionic acid methyl ester, AldrichCPR

Chemical Property of 3-(3,4-Dichlorophenyl)-3-oxo-propionic acid methyl ester

Chemical Property:

• PSA: 43.37000
• LogP: 2.73920
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 245.9850495
• Heavy Atom Count: 15
• Complexity: 255

Purity/Quality:

Methyl3-(3,4-dichlorophenyl)-3-oxopropanoate 97% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-(3,4-Dichlorophenyl)-3-oxo-propionic acid methyl ester

There total 1 articles about 3-(3,4-Dichlorophenyl)-3-oxo-propionic acid methyl ester 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: 85.0%

carbonic acid dimethyl ester (616-38-6) + 3',4'-dichloroacetophenone (2642-63-9) → methyl 3-(3,4-dichlorophenyl)-3-oxopropanoate (677326-67-9)

Guidance literature:

3',4'-dichloroacetophenone; With sodium hydride; In tetrahydrofuran; at 20 ℃; for 2h; Cooling with ice; Inert atmosphere;

carbonic acid dimethyl ester; In tetrahydrofuran; at 20 ℃; for 1h; Reflux;

Reference yield: 92.0%

methyl 3-(3,4-dichlorophenyl)-3-oxopropanoate (677326-67-9) → 5-(3,4-dichlorobenzene)-3-hydroxypyrazole (73457-35-9)

Guidance literature:

With hydrazine hydrate; In ethanol; at 100 ℃; for 1h;

Reference yield: 87.0%

N,N,N,N,-tetramethylethylenediamine (110-18-9) + methyl 3-(3,4-dichlorophenyl)-3-oxopropanoate (677326-67-9) → dimethyl 2-(3,4-dichlorobenzoyl)-5-(3,4-dichlorophenyl)-2,3-dihydrofuran-2,4-dicarboxylate

Guidance literature:

With di-tert-butyl peroxide; copper dichloride; In acetonitrile; at 100 ℃; for 6h; Schlenk technique;

DOI:10.1039/c5ob00191a

upstream raw materials:

carbonic acid dimethyl ester

3',4'-dichloroacetophenone

Downstream raw materials:

C₁₅H₁₄Cl₂O₃

2-(3-(benzyloxy)phenyl)-6-(3,4-dichlorophenyl)pyrimidin-4-ol

5-(3,4-dichlorobenzene)-3-hydroxypyrazole

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