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

Base Information

• Chemical Name: 2-[4-(trifluoromethyl)phenoxy]propanoic Acid
• CAS No.: 69484-34-0
• Molecular Formula: C10H9F3O3
• Molecular Weight: 234.175
• Hs Code.: 2918990090
• European Community (EC) Number: 853-423-5
• DSSTox Substance ID: DTXSID50395953
• Nikkaji Number: J1.119.911I
• Mol file: 69484-34-0.mol

Synonyms:2-[4-(trifluoromethyl)phenoxy]propanoic Acid;69484-34-0;2-[4-(TRIFLUOROMETHYL)PHENOXY]PROPIONIC ACID;2-(4-(Trifluoromethyl)phenoxy)propanoic acid;2-(4-(Trifluoromethyl)phenoxy)propanoicacid;2-[4-(trifluoromethyl)phenoxy]propanoicAcid;Propanoic acid, 2-[4-(trifluoromethyl)phenoxy]-;SCHEMBL11597291;DTXSID50395953;AR3827;MFCD02684122;AKOS000103168;AKOS022485259;AS-45698;CS-0171664;EN300-155983;A917980;2-(alpha,alpha,alpha-Trifluoro-p-tolyloxy)propionic acid;Z228583532

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

Chemical Property:

• PSA: 46.53000
• LogP: 2.55730
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 234.05037863
• Heavy Atom Count: 16
• Complexity: 244

Purity/Quality:

99% ^*data from raw suppliers

2-(4-(Trifluoromethyl)phenoxy)propanoic acid 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C(=O)O)OC1=CC=C(C=C1)C(F)(F)F

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

There total 5 articles about 2-[4-(trifluoromethyl)phenoxy]propanoic 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: 99.0%

ethyl (+/-)-2-(4-trifluoromethylphenoxy)propanoate (394646-83-4) → (+/-)-2-(4-trifluoromethylphenoxy)propanoic acid (69484-34-0)

Guidance literature:

With potassium hydroxide; In ethanol; water; at 0 ℃; for 4h;

DOI:10.1021/jo034253x

Reference yield:

4-hydroxybenzotrifluoride (402-45-9) → (+/-)-2-(4-trifluoromethylphenoxy)propanoic acid (69484-34-0)

Guidance literature:

Multi-step reaction with 2 steps

1: hydrolysis

DOI:10.1246/bcsj.77.543

Reference yield:

4-hydroxybenzotrifluoride (402-45-9) + 2-Bromopropionic acid (598-72-1,10327-08-9) → (+/-)-2-(4-trifluoromethylphenoxy)propanoic acid (69484-34-0)

Guidance literature:

With sodium hydroxide; In ethanol; for 24h; Heating;

DOI:10.1021/jm00037a023

upstream raw materials:

4-hydroxybenzotrifluoride

2-Bromopropionic acid

ethyl (+/-)-2-(4-trifluoromethylphenoxy)propanoate

Ethyl 2-bromopropionate

Downstream raw materials:

2-(α,α,α-trifluoro-p-tolyloxy)-1-propanol

(R)-2-(4-trifluoromethylphenoxy)propanoic acid

Refernces

• 1、 Nishigaki, Tomohiro,Yasufuku, Yoshitaka,Murakami, Sayuri,Ebara, Yasuhito,Ueji, Shin-Ichi. "A great improvement of the enantioselectivity of lipase-catalyzed hydrolysis and esterification using co-solvents as an additive". experimental part. p. 617 - 622. Retrieved 2009/04/11.
• 2、 Kato, Dai-Ichiro,Mitsuda, Satoshi,Ohta, Hiromichi. "Microbial deracemization of α-substituted carboxylic acids: Substrate specificity and mechanistic investigation". . p. 7234 - 7242. Retrieved 2007/10/03.