Ethyl 2,2-difluoro-2-(4-nitrophenyl)acetate

Base Information

• Chemical Name: Ethyl 2,2-difluoro-2-(4-nitrophenyl)acetate
• CAS No.: 243656-25-9
• Molecular Formula: C₁₀H₉F₂NO₄
• Molecular Weight: 245.183
• DSSTox Substance ID: DTXSID90442152
• Nikkaji Number: J1.138.191J
• Wikidata: Q82259271
• Mol file: 243656-25-9.mol

Synonyms:Ethyl 2,2-difluoro-2-(4-nitrophenyl)acetate;243656-25-9;MFCD11975616;Ethyl2,2-difluoro-2-(4-nitrophenyl)acetate;SCHEMBL2880801;DTXSID90442152;AC5708;AKOS015852823;AS-65769;SY038866;CS-0113165;(4-Nitrophenyl)difluoroacetic acid ethyl ester;A877952;Difluoro-(4-nitro-phenyl)-acetic acid ethyl ester;2,2-difluoro-2-(4-nitrophenyl)acetic acid ethyl ester

Chemical Property of Ethyl 2,2-difluoro-2-(4-nitrophenyl)acetate

Chemical Property:

• Boiling Point: 324.5±42.0 °C(Predicted)
• Density: 1.344±0.06 g/cm3(Predicted)
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 245.04996409
• Heavy Atom Count: 17
• Complexity: 295

Purity/Quality:

97% ^*data from raw suppliers

Ethyl 2,2-difluoro-2-(4-nitrophenyl)acetate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCOC(=O)C(C1=CC=C(C=C1)[N+](=O)[O-])(F)F

Technology Process of Ethyl 2,2-difluoro-2-(4-nitrophenyl)acetate

There total 4 articles about Ethyl 2,2-difluoro-2-(4-nitrophenyl)acetate 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: 95.0%

→ 2,2-difluoro-2-(4-nitrophenyl)acetic acid ethyl ester (243656-25-9)

Guidance literature:

With copper; In dimethyl sulfoxide; at 30 - 50 ℃; for 16h; Inert atmosphere;

Reference yield: 86.0%

p-nitrobenzene iodide (636-98-6) + Ethyl bromodifluoroacetate (667-27-6) → 2,2-difluoro-2-(4-nitrophenyl)acetic acid ethyl ester (243656-25-9)

Guidance literature:

With copper; In dimethyl sulfoxide; at 60 ℃; for 20h; Inert atmosphere;

DOI:10.1002/anie.202110019

Reference yield: 29.0%

p-nitrobenzene iodide (636-98-6) + α-(trimethylsilyl)difluoroacetic acid ethyl ester (205865-67-4) → 2,2-difluoro-2-(4-nitrophenyl)acetic acid ethyl ester (243656-25-9)

Guidance literature:

With potassium fluoride; copper(l) iodide; In dimethyl sulfoxide; at 60 ℃; for 15h; Inert atmosphere;

DOI:10.1021/ol202289z

upstream raw materials:

p-nitrobenzene iodide

Ethyl bromodifluoroacetate

ethyl 2,2-difluoro-2-(triethylsilyl)acetate

α-(trimethylsilyl)difluoroacetic acid ethyl ester

Downstream raw materials:

p-nitrobenzoyl fluoride

(difluoro(4-nitrophenyl)methyl)(phenyl)sulfide

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