Ethyl 2-(trifluoromethyl)phenylacetate

Base Information

• Chemical Name: Ethyl 2-(trifluoromethyl)phenylacetate
• CAS No.: 81580-50-9
• Molecular Formula: C11 H11 F3O2
• Molecular Weight: 232.202
• Hs Code.: 2916399090
• European Community (EC) Number: 639-319-0
• DSSTox Substance ID: DTXSID90371933
• Nikkaji Number: J1.538.793I
• Wikidata: Q82159481
• Mol file: 81580-50-9.mol

Synonyms:Ethyl 2-(trifluoromethyl)phenylacetate;81580-50-9;ethyl 2-[2-(trifluoromethyl)phenyl]acetate;Ethyl 2-(2-(trifluoromethyl)phenyl)acetate;Ethyl 2-(2-trifluoromethylphenyl)acetate;SCHEMBL3801344;DTXSID90371933;MFCD00236677;AKOS009158130;PS-6537;ethyl 2-(trifluoromethyl)phenyl acetate;CS-0312944;FT-0676438;F79747;[2-(Trifluoromethyl)phenyl]acetic acid ethyl ester;A840165

Chemical Property of Ethyl 2-(trifluoromethyl)phenylacetate

Chemical Property:

• Boiling Point: 229.6±35.0 °C(Predicted)
• PSA: 26.30000
• Density: 1 +-.0.06 g/cm3(Predicted)
• LogP: 2.81100
• Storage Temp.: 2-8°C
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 232.07111408
• Heavy Atom Count: 16
• Complexity: 238

Purity/Quality:

97% ^*data from raw suppliers

Ethyl 2-(trifluoromethyl)phenylacetate 97% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CC1=CC=CC=C1C(F)(F)F

Technology Process of Ethyl 2-(trifluoromethyl)phenylacetate

There total 3 articles about Ethyl 2-(trifluoromethyl)phenylacetate 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: 88.0%

ethanol (64-17-5) + 2-(trifluoromethyl)phenylacetic acid (3038-48-0) → ethyl 2-(2-(trifluoromethyl)phenyl)acetate (81580-50-9)

Guidance literature:

With toluene-4-sulfonic acid; for 24h; Reflux;

DOI:10.1021/acs.oprd.9b00422

Reference yield: 6.6%

ethyl α-bromo-(2-trifluoromethylphenyl)acetate → ethyl 2-(2-(trifluoromethyl)phenyl)acetate (81580-50-9) + meso-diethyl 2,3-bis(2-trifluoromethylphenyl)succinate + DL-diethyl 2,3-bis(2-trifluoromethylphenyl)succinate

Guidance literature:

With tetraethylammonium perchlorate; In N,N-dimethyl-formamide; Ambient temperature; electrolysis, reticulated vitreous carbon cathode;

Reference yield:

→ ethyl 2-(2-(trifluoromethyl)phenyl)acetate (81580-50-9)

Guidance literature:

With thionyl chloride; at 0 - 90 ℃;

upstream raw materials:

ethanol

2-(trifluoromethyl)phenylacetic acid

Downstream raw materials:

diethyl 2-(2-(trifluoromethyl)phenyl)malonate