Ethyl 2-(2,3-dichlorophenyl)-2,2-difluoroacetate

Base Information

• Chemical Name: Ethyl 2-(2,3-dichlorophenyl)-2,2-difluoroacetate
• CAS No.: 1199773-04-0
• Molecular Formula: C₁₀H₈Cl₂F₂O₂
• Molecular Weight: 269.075
• Hs Code.: 2916399090
• DSSTox Substance ID: DTXSID50681303
• Wikidata: Q82605251
• Mol file: 1199773-04-0.mol

Synonyms:ETHYL 2-(2,3-DICHLOROPHENYL)-2,2-DIFLUOROACETATE;1199773-04-0;Ethyl (2,3-dichlorophenyl)(difluoro)acetate;Ethyl2-(2,3-dichlorophenyl)-2,2-difluoroacetate;SCHEMBL23374546;DTXSID50681303;MFCD13195686;AKOS011682264;BS-20018;CS-0212375

Chemical Property of Ethyl 2-(2,3-dichlorophenyl)-2,2-difluoroacetate

Chemical Property:

• PSA: 26.30000
• LogP: 3.64830
• Storage Temp.: 2-8°C
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 267.9869412
• Heavy Atom Count: 16
• Complexity: 261

Purity/Quality:

97% ^*data from raw suppliers

Ethyl2-(2,3-dichlorophenyl)-2,2-difluoroacetate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Ethyl 2-(2,3-dichlorophenyl)-2,2-difluoroacetate

There total 1 articles about Ethyl 2-(2,3-dichlorophenyl)-2,2-difluoroacetate 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: 61.0%

Ethyl bromodifluoroacetate (667-27-6) + 1,2-Dichloro-3-iodobenzene (2401-21-0) → C10H8Cl2F2O2 (1199773-04-0)

Guidance literature:

With copper; In dimethyl sulfoxide;

Reference yield: 75.0%

C10H8Cl2F2O2 (1199773-04-0) → C8H4Cl2F2O2 (1248094-19-0)

Guidance literature:

With water; lithium hydroxide; In tetrahydrofuran;

Reference yield:

C10H8Cl2F2O2 (1199773-04-0) → C8H3Cl2F2N

Guidance literature:

Multi-step reaction with 4 steps

1: sodium hydroxide; water

2: oxalyl dichloride / N,N-dimethyl-formamide; hexane / 1 h / 20 °C

3: ammonia / water

4: trifluoroacetic anhydride

With oxalyl dichloride; ammonia; water; trifluoroacetic anhydride; sodium hydroxide; In hexane; water; N,N-dimethyl-formamide;

DOI:10.1021/jm4001314

upstream raw materials:

Ethyl bromodifluoroacetate

1,2-Dichloro-3-iodobenzene

Downstream raw materials:

C₁₅H₁₅Cl₂N₅O

C₁₅H₁₄Cl₂FN₅

C₈H₄Cl₂F₂O₂

C₁₅H₁₃Cl₂N₅O

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