Ethyl 2,2,3,3-tetrafluoro-3-phenylpropanoate

Base Information

• Chemical Name: Ethyl 2,2,3,3-tetrafluoro-3-phenylpropanoate
• CAS No.: 14160-54-4
• Molecular Formula: C₁₁H₁₀F₄O₂
• Molecular Weight: 250.193
• DSSTox Substance ID: DTXSID901022769
• Nikkaji Number: J2.662.112G

Synonyms:ethyl 2,2,3,3-tetrafluoro-3-phenylpropanoate;14160-54-4;CGZJJVPVIBKJNG-UHFFFAOYSA-N;DTXSID901022769

Chemical Property of Ethyl 2,2,3,3-tetrafluoro-3-phenylpropanoate

Chemical Property:

• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 250.06169221
• Heavy Atom Count: 17
• Complexity: 273

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of Ethyl 2,2,3,3-tetrafluoro-3-phenylpropanoate

There total 8 articles about Ethyl 2,2,3,3-tetrafluoro-3-phenylpropanoate 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: 92.0%

ethyl 3-(4-chlorophenylthio)-2,2-difluoro-3-phenylpropanoate (1253930-82-3) → ethyl 2,2,3,3-tetrafluoro-3-phenylpropanoate (14160-54-4)

Guidance literature:

ethyl 3-(4-chlorophenylthio)-2,2-difluoro-3-phenylpropanoate; With IF₅/Et₃N-3HF; In dichloromethane; at 20 ℃; for 40h;

With IF₅-5CH₂Cl₂; In dichloromethane; at 20 ℃; for 24h;

DOI:10.1021/jo101672g

Reference yield: 80.0%

iodobenzene (591-50-4) + ethyl 3-iodo-tetrafluoropropanoate (188258-78-8) → ethyl 2,2,3,3-tetrafluoro-3-phenylpropanoate (14160-54-4)

Guidance literature:

With [2,2]bipyridinyl; copper; In N,N-dimethyl-formamide; at 100 ℃; for 6h;

DOI:10.1016/j.jfluchem.2004.01.001

Reference yield:

ethyl 3-(4-chlorophenylthio)-2,2-difluoro-3-phenylpropanoate (1253930-82-3) → C11H11F3O2 (1253930-90-3) + ethyl 2,2,3,3-tetrafluoro-3-phenylpropanoate (14160-54-4)

Guidance literature:

With IF₅-5CH₂Cl₂; In dichloromethane; at 20 ℃; for 45h;

DOI:10.1021/jo101672g

upstream raw materials:

ethanol

2,2,3,3-tetrafluoro-3-phenylpropanoic acid

iodobenzene

ethyl 3-iodo-tetrafluoropropanoate

Downstream raw materials:

α,α,β,β-Tetrafluor-hydrozimtsaeure-amid

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