3-[4-(trifluoromethoxy)phenyl]propanoic Acid

Base Information

• Chemical Name: 3-[4-(trifluoromethoxy)phenyl]propanoic Acid
• CAS No.: 886499-74-7
• Molecular Formula: C₁₀H₉F₃O₃
• Molecular Weight: 234.175
• Hs Code.: 2918999090
• European Community (EC) Number: 860-422-3
• DSSTox Substance ID: DTXSID40441099
• Nikkaji Number: J1.561.033F
• Wikidata: Q82257688
• Mol file: 886499-74-7.mol

Synonyms:886499-74-7;3-[4-(trifluoromethoxy)phenyl]propanoic Acid;4-(TRIFLUOROMETHOXY)HYDROCINNAMIC ACID;3-(4-(Trifluoromethoxy)phenyl)propanoic acid;3-(4-(Trifluoromethoxy)phenyl)propanoicacid;3-[4-(TRIFLUOROMETHOXY)PHENYL]PROPANOICACID;SCHEMBL584599;DTXSID40441099;MFCD01076409;AKOS000186019;PS-7669;4-(Trifluoromethoxy)benzenepropionic acid;3-[4-Trifluoromethoxy)phenyl]propionic acid;CS-0060256;FT-0654825;EN300-66198;H10586;A842813;Z317037988

Chemical Property of 3-[4-(trifluoromethoxy)phenyl]propanoic Acid

Chemical Property:

• XLogP3: 3.1
• 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:

98%min ^*data from raw suppliers

3-[4-(Trifluoromethoxy)phenyl]propanoicAcid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: T
• Statements: 25
• Safety Statements: 45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1CCC(=O)O)OC(F)(F)F

Technology Process of 3-[4-(trifluoromethoxy)phenyl]propanoic Acid

There total 3 articles about 3-[4-(trifluoromethoxy)phenyl]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: 100.0%

→ 3-[4-(trifluoromethoxy)phenyl]propanoic acid (886499-74-7)

Guidance literature:

Reference yield:

ethyl 3-(4-trifluoromethoxyphenyl)propionate → 3-[4-(trifluoromethoxy)phenyl]propanoic acid (886499-74-7)

Guidance literature:

With water; sodium hydroxide; In methanol; at 20 ℃; for 16h;

Reference yield:

cycl-isopropylidene malonate (2033-24-1) + p-trifluoromethoxybenzaldehyde (659-28-9) → 3-[4-(trifluoromethoxy)phenyl]propanoic acid (886499-74-7)

Guidance literature:

With Tetraethylammonium formate; at 95 - 100 ℃;

DOI:10.1021/jm000985v

upstream raw materials:

cycl-isopropylidene malonate

p-trifluoromethoxybenzaldehyde

Downstream raw materials:

3-(4-trifluoromethoxyphenyl)propan-1-ol

5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-(morpholin-4-yl)ethyl]-2-{2-[4-(trifluoromethoxy)phenyl]ethyl}-1H-benzimidazole

C₂₁H₂₁F₃N₄O₃

C₂₀H₂₁F₃N₄O₄

Refernces

• 1、 -. "GLYCOLATE OXIDASE INHIBITORS FOR THE TREATMENT OF DISEASE". Paragraph 00507; 00508; 00509; 001300; 001301; 001302. . Retrieved 2019/07/17.
• 2、 Englert,Gerlach,Goegelein,Hartung,Heitsch,Mania,Scheidler. "Cardioselective KATP channel blockers derived from a new series of m-anisamidoethylbenzenesulfonylthioureas". . p. 1085 - 1098. Retrieved 2007/10/03.