Ethyl 2-[3-(trifluoromethyl)phenoxy]acetate

Base Information

• Chemical Name: Ethyl 2-[3-(trifluoromethyl)phenoxy]acetate
• CAS No.: 22897-99-0
• Molecular Formula: C11H11 F3 O3
• Molecular Weight: 248.202
• Hs Code.: 2918990090
• DSSTox Substance ID: DTXSID70403822
• Nikkaji Number: J31.557E
• Wikidata: Q82207646
• Mol file: 22897-99-0.mol

Synonyms:22897-99-0;Ethyl 2-[3-(trifluoromethyl)phenoxy]acetate;(3-TRIFLUOROMETHYLPHENOXY)ACETIC ACID ETHYL ESTER;Ethyl 3-(Trifluoromethyl)phenoxyacetate;Acetic acid, 2-[3-(trifluoromethyl)phenoxy]-, ethyl ester;ETHYL 2-(3-(TRIFLUOROMETHYL)PHENOXY)ACETATE;ethyl [3-(trifluoromethyl)phenoxy]acetate;Ethyl 2-[3-(trifluoromethyl)-phenoxy]acetate;HPNO?2-Pyridinol-1-oxide;SCHEMBL9811728;(3-TRIFLUOROMETHYLPHENOXY) ACETIC ACID ETHYL ESTER;DTXSID70403822;ethyl-m-trifluoromethylphenoxy-acetate;AKOS003330158;AB16876;E1004;T72116;3-(Trifluoromethyl)phenoxyacetic Acid Ethyl Ester;ETHYL2-(3-(TRIFLUOROMETHYL)PHENOXY)ACETATE

Chemical Property of Ethyl 2-[3-(trifluoromethyl)phenoxy]acetate

Chemical Property:

• Refractive Index: 1.4530 to 1.4570
• Boiling Point: 123°C/14mmHg(lit.)
• PSA: 35.53000
• Density: 1.241±0.06 g/cm3(Predicted)
• LogP: 2.64730
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 248.06602869
• Heavy Atom Count: 17
• Complexity: 253

Purity/Quality:

99% ^*data from raw suppliers

Ethyl 3-(Trifluoromethyl)phenoxyacetate >95.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)COC1=CC=CC(=C1)C(F)(F)F

Technology Process of Ethyl 2-[3-(trifluoromethyl)phenoxy]acetate

There total 7 articles about Ethyl 2-[3-(trifluoromethyl)phenoxy]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:

3-Trifluoromethylphenol (98-17-9) + ethyl bromoacetate (105-36-2) → ethyl (3-trifluoromethylphenoxy)acetate (22897-99-0)

Guidance literature:

With potassium carbonate; sodium iodide; In acetone; for 3h; Heating;

DOI:10.1016/j.tet.2004.10.019

Reference yield:

3-Trifluoromethylphenol (98-17-9) + chloroacetic acid ethyl ester (105-39-5) → ethyl (3-trifluoromethylphenoxy)acetate (22897-99-0)

Guidance literature:

With sodium iodide; potassium carbonate; In acetone;

Reference yield:

methyl 9α-acetoxy-11α-(2-tetrahydropyranyloxy)-15α-hydroxy-16-(3-trifluoromethylphenoxy)-17,18,19,20-tetranorprosta-cis-5,trans-13-dienoate + 3-Trifluoromethylphenol (98-17-9) + chloroacetic acid ethyl ester (105-39-5) → ethyl (3-trifluoromethylphenoxy)acetate (22897-99-0)

Guidance literature:

With sodium iodide; In acetone;

upstream raw materials:

ethyl (2-iodo-5-trifluoromethyl-phenoxy)acetate

3-Trifluoromethylphenol

ethyl bromoacetate

2-iodo-5-(trifluoromethyl)phenol

Downstream raw materials:

N-(2-Benzylamino-ethyl)-2-(3-trifluoromethyl-phenoxy)-acetamide

(3-trifluoromethylphenoxy)acetaldehyde

(3-trifluoromethylphenoxy)acetic acid

4-(m-trifluoromethylphenoxy)-3-trimethylsilyloxy-1-butyne

Refernces

• 1、 Chen, Jixiang,Gan, Xiuhai,Yi, Chongfen,Wang, Shaobo,Yang, Yuyuan,He, Fangcheng,Hu, Deyu,Song, Baoan. "Synthesis, Nematicidal Activity, and 3D-QSAR of Novel 1,3,4-Oxadiazole/ Thiadiazole Thioether Derivatives". . p. 939 - 944. Retrieved 2018/09/22.
• 2、 Deng, Xiaoyan,Liao, Guihong,Long, Qingwu,Gao, Yujiao,Peng, Hao,He, Hongwu. "Synthesis and herbicidal activity of [(Substituted Phenoxyacetoxy) (Substituted Phenyl)Methyl](Methyl) phosphinates containing fluorine". . p. 663 - 671. Retrieved 2013/07/26.