Methyl 3-(2,4-dichloro-5-fluorophenyl)-3-oxopropanoate

Base Information

• Chemical Name: Methyl 3-(2,4-dichloro-5-fluorophenyl)-3-oxopropanoate
• CAS No.: 103319-17-1
• Molecular Formula: C10H7 Cl2 F O3
• Molecular Weight: 265.07
• DSSTox Substance ID: DTXSID60545780
• Wikidata: Q82423386
• Mol file: 103319-17-1.mol

Synonyms:103319-17-1;methyl 3-(2,4-dichloro-5-fluorophenyl)-3-oxopropanoate;METHYL 3-(2,4-DICHLORO-5-FLUOROPHENYL)-3-OXOPROPIONATE;methyl 2-(2,4-dichloro-5-fluorobenzoyl)acetate;SCHEMBL8875853;DTXSID60545780;AKOS017558363

Chemical Property of Methyl 3-(2,4-dichloro-5-fluorophenyl)-3-oxopropanoate

Chemical Property:

• PSA: 43.37000
• LogP: 2.87830
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 263.9756276
• Heavy Atom Count: 16
• Complexity: 285

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)CC(=O)C1=CC(=C(C=C1Cl)Cl)F

Technology Process of Methyl 3-(2,4-dichloro-5-fluorophenyl)-3-oxopropanoate

There total 4 articles about Methyl 3-(2,4-dichloro-5-fluorophenyl)-3-oxopropanoate 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: 80.0%

2,4-dichloro-5-fluoroacetophenone (704-10-9) + carbonic acid dimethyl ester (616-38-6) → methyl 2,4-dichloro-5-fluoro-benzoylacetate (103319-17-1)

Guidance literature:

carbonic acid dimethyl ester; With sodium methylate; at 75 ℃; for 0.25h;

2,4-dichloro-5-fluoroacetophenone; at 85 ℃; for 3h;

DOI:10.1007/s11164-012-0551-8

Reference yield:

2,2-dichlorovinyl 2,4-dichloro-5-fluoro-phenyl ketone → methyl 2,4-dichloro-5-fluoro-benzoylacetate (103319-17-1)

Guidance literature:

With sulfuric acid; sodium; In methanol; dichloromethane;

Reference yield:

2,4-dichloro-5-fluoroacetophenone (704-10-9) → methyl 2,4-dichloro-5-fluoro-benzoylacetate (103319-17-1)

Guidance literature:

Multi-step reaction with 2 steps

1: dimethylformamide / 1 h / 110 °C

2: HCl(gas) / methanol / 20 h / Ambient temperature

With hydrogenchloride; In methanol; N,N-dimethyl-formamide;

upstream raw materials:

methanol

2,4-dichloro-5-fluorobenzoylacetic acid

2,4-dichloro-5-fluoroacetophenone

carbonic acid dimethyl ester

Downstream raw materials:

methyl 2,4-dichloro-5-fluoro-α-(4-fluorophenylhydrazono)benzoylacetate

7-chloro-6-fluoro-1-(4-methoxymethoxy-phenyl)-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid

7-chloro-6-fluoro-1-(4-methoxymethoxy-phenyl)-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid methyl ester

(Z)-2-(2,4-Dichloro-5-fluoro-benzoyl)-3-(4-methoxymethoxy-phenylamino)-acrylic acid methyl ester