2-[4-(trifluoromethyl)phenoxy]acetic Acid

Base Information

• Chemical Name: 2-[4-(trifluoromethyl)phenoxy]acetic Acid
• CAS No.: 163839-73-4
• Molecular Formula: C9H7F3O3
• Molecular Weight: 220.148
• Hs Code.: 2918990090
• European Community (EC) Number: 810-387-5
• DSSTox Substance ID: DTXSID30380569
• Nikkaji Number: J3.323.433C
• Wikidata: Q82170846
• Mol file: 163839-73-4.mol

Synonyms:163839-73-4;2-[4-(trifluoromethyl)phenoxy]acetic Acid;4-(Trifluoromethyl)phenoxyacetic acid;2-(4-(Trifluoromethyl)phenoxy)acetic acid;[4-(Trifluoromethyl)phenoxy]acetic acid;Acetic acid, [4-(trifluoromethyl)phenoxy]-;[4-(trifluoromethyl)phenoxy]-acetic acid;Acetic acid, 2-[4-(trifluoromethyl)phenoxy]-;SCHEMBL2111994;DTXSID30380569;BBL100204;MFCD03094458;STL553770;4-(trifluoromethyl)phenoxy acetic acid;AKOS000103157;PS-6863;2-(4-(Trifluoromethyl)phenoxy)aceticacid;CS-0157430;EN300-43915;Z228583530

Chemical Property of 2-[4-(trifluoromethyl)phenoxy]acetic Acid

Chemical Property:

• Boiling Point: 289.1±40.0 °C(Predicted)
• PKA: 3.01±0.10(Predicted)
• PSA: 46.53000
• Density: 1.392±0.06 g/cm3(Predicted)
• LogP: 2.16880
• Storage Temp.: 2-8°C
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 220.03472857
• Heavy Atom Count: 15
• Complexity: 219

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-[4-(Trifluoromethyl)phenoxy]aceticAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(F)(F)F)OCC(=O)O

Technology Process of 2-[4-(trifluoromethyl)phenoxy]acetic Acid

There total 7 articles about 2-[4-(trifluoromethyl)phenoxy]acetic Acid 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: 100.0%

4-hydroxybenzotrifluoride (402-45-9) + ethyl bromoacetate (105-36-2) → 2-(4-(trifluoromethyl)phenoxy)acetic acid (163839-73-4)

Guidance literature:

4-hydroxybenzotrifluoride; ethyl bromoacetate; With caesium carbonate; In acetonitrile; at 20 ℃; for 17h;

With water; lithium hydroxide; In tetrahydrofuran; at 20 ℃; for 1.5h;

Reference yield: 98.0%

ethyl 2-[4-(trifluoromethyl)phenoxy]acetate (442125-30-6) → 2-(4-(trifluoromethyl)phenoxy)acetic acid (163839-73-4)

Guidance literature:

ethyl 2-[4-(trifluoromethyl)phenoxy]acetate; With sodium hydroxide; In tetrahydrofuran; for 2h; Reflux;

With hydrogenchloride; In water; pH=1;

DOI:10.1021/jm400221d

Reference yield: 98.0%

→ 2-(4-(trifluoromethyl)phenoxy)acetic acid (163839-73-4)

Guidance literature:

upstream raw materials:

4-hydroxybenzotrifluoride

ethyl bromoacetate

methyl 2-[4-(trifluoromethyl)phenoxy]acetate

ethyl 2-[4-(trifluoromethyl)phenoxy]acetate

Downstream raw materials:

[4-(trifluoromethyl)phenoxy]-acetic acid, (3-methyl-3-oxetanyl)methyl ester

C₁₇H₁₈F₃N₃O₃

Refernces

• 1、 -. "INHIBITORS OF INTEGRATED STRESS RESPONSE PATHWAY". . . Retrieved 2019/12/28.
• 2、 Wang, Da-Wei,Lin, Hong-Yan,He, Bo,Wu, Feng-Xu,Chen, Tao,Chen, Qiong,Yang, Wen-Chao,Yang, Guang-Fu. "An Efficient One-Pot Synthesis of 2-(Aryloxyacetyl)cyclohexane-1,3-diones as Herbicidal 4-Hydroxyphenylpyruvate Dioxygenase Inhibitors". . p. 8986 - 8993. Retrieved 2016/12/09.