[4-(2,2,2-Trifluoroethoxy)phenyl]acetic acid

Base Information

• Chemical Name: [4-(2,2,2-Trifluoroethoxy)phenyl]acetic acid
• CAS No.: 170361-35-0
• Molecular Formula: C₁₀H₉F₃O₃
• Molecular Weight: 234.175
• Hs Code.: 2918990090
• European Community (EC) Number: 878-139-9
• DSSTox Substance ID: DTXSID40599140
• Wikidata: Q82495000
• Mol file: 170361-35-0.mol

Synonyms:[4-(2,2,2-trifluoroethoxy)phenyl]acetic acid;170361-35-0;2-[4-(2,2,2-trifluoroethoxy)phenyl]acetic acid;MFCD08696483;2-(4-(2,2,2-Trifluoroethoxy)phenyl)acetic acid;SCHEMBL964774;DTXSID40599140;STK351288;AKOS000210775;CS-0217909;EN300-92652;G31046;2-(4-(2,2,2-Trifluoroethoxy)phenyl)aceticacid;A1-01653;Z327253310

Chemical Property of [4-(2,2,2-Trifluoroethoxy)phenyl]acetic acid

Chemical Property:

• Melting Point: 109-111 °C(Solv: hexane (110-54-3))
• Boiling Point: 300.1±42.0 °C(Predicted)
• PKA: 4.34±0.10(Predicted)
• PSA: 46.53000
• Density: 1.347±0.06 g/cm3(Predicted)
• LogP: 2.25480
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 234.05037863
• Heavy Atom Count: 16
• Complexity: 232

Purity/Quality:

99% ^*data from raw suppliers

2-(4-(2,2,2-Trifluoroethoxy)phenyl)aceticacid 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1CC(=O)O)OCC(F)(F)F

Technology Process of [4-(2,2,2-Trifluoroethoxy)phenyl]acetic acid

There total 1 articles about [4-(2,2,2-Trifluoroethoxy)phenyl]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:

C11H11F3O3 (937603-34-4) → C10H9F3O3 (170361-35-0)

Guidance literature:

With lithium hydroxide; water; In tetrahydrofuran; at 20 ℃; for 3h;

DOI:10.1016/j.bmcl.2008.05.073

Reference yield:

3-amino-N,N-diethyl-4-(isopentylamino)benzamide (474019-67-5) + C10H9F3O3 (170361-35-0) → C26H34F3N3O3

Guidance literature:

With N-ethyl-N,N-diisopropylamine; HATU; In N,N-dimethyl-formamide; at 20 ℃; for 3h;

DOI:10.1016/j.bmcl.2008.05.073

Reference yield:

(R)-1-(5-(trifluoromethyl)-pyridin-3-yl)pyrrolidin-3-amine (309962-82-1) + C10H9F3O3 (170361-35-0) → (R)-2-(4-(2,2,2-trifluoroethoxy)phenyl)-N-(1-(5-(trifluoromethyl)pyridin-3-yl)pyrrolidin-3-yl)acetamide

Guidance literature:

upstream raw materials:

C₁₁H₁₁F₃O₃