5-Oxo-1-[4-(trifluoromethoxy)phenyl]pyrrolidine-3-carboxylic acid

Base Information

• Chemical Name: 5-Oxo-1-[4-(trifluoromethoxy)phenyl]pyrrolidine-3-carboxylic acid
• CAS No.: 874765-55-6
• Molecular Formula: C₁₂H₁₀F₃NO₄
• Molecular Weight: 289.211
• Hs Code.: 2933998090
• DSSTox Substance ID: DTXSID701347886
• Mol file: 874765-55-6.mol

Synonyms:5-oxo-1-[4-(trifluoromethoxy)phenyl]pyrrolidine-3-carboxylic acid;874765-55-6;5-Oxo-1-[4-(trifluoromethoxy)phenyl]-pyrrolidine-3-carboxylic acid;MFCD01569312;5-Oxo-1-(4-(trifluoromethoxy)phenyl)pyrrolidine-3-carboxylic acid;Maybridge3_006919;XEGOMPWWQGMOQJ-UHFFFAOYSA-N;DTXSID701347886;HMS1450K11;BBL029423;STL298674;AKOS000126119;AKOS022139484;IDI1_018306;VS-09230;CS-0245297;EN300-302816;5-Oxo-1-(4-(trifluoromethoxy)phenyl)pyrrolidine-3-carboxylicacid

Chemical Property of 5-Oxo-1-[4-(trifluoromethoxy)phenyl]pyrrolidine-3-carboxylic acid

Chemical Property:

• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 289.05619229
• Heavy Atom Count: 20
• Complexity: 391

Purity/Quality:

99%, ^*data from raw suppliers

5-Oxo-1-[4-(trifluoromethoxy)phenyl]pyrrolidine-3-carboxylic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1C(CN(C1=O)C2=CC=C(C=C2)OC(F)(F)F)C(=O)O

Technology Process of 5-Oxo-1-[4-(trifluoromethoxy)phenyl]pyrrolidine-3-carboxylic acid

There total 1 articles about 5-Oxo-1-[4-(trifluoromethoxy)phenyl]pyrrolidine-3-carboxylic 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: 95.0%

2-methylenesuccinic acid (97-65-4,25119-64-6) + 4-(trifluoromethoxy)aniline (461-82-5) → 1-(4-trifluoromethoxy-phenyl)-5-pyrrolidone-3-carboxylic acid (874765-55-6)

Guidance literature:

at 100 ℃;

DOI:10.1039/c6md00261g

Reference yield:

1-(4-trifluoromethoxy-phenyl)-5-pyrrolidone-3-carboxylic acid (874765-55-6) → C13H14F3NO5S

Guidance literature:

Multi-step reaction with 3 steps

1.1: thionyl chloride / 2 h / 55 - 60 °C

2.1: sodium tetrahydroborate / ethanol / 3.5 h / 10 - 25 °C

3.1: triethylamine / dichloromethane / 0.25 h / 0 °C

3.2: 1.5 h / 10 - 15 °C

With sodium tetrahydroborate; thionyl chloride; triethylamine; In ethanol; dichloromethane;

DOI:10.1016/j.ejmech.2016.11.007

Reference yield:

1-(4-trifluoromethoxy-phenyl)-5-pyrrolidone-3-carboxylic acid (874765-55-6) → C12H12F3NO3

Guidance literature:

Multi-step reaction with 2 steps

1: thionyl chloride / 2 h / 55 - 60 °C

2: sodium tetrahydroborate / ethanol / 3.5 h / 10 - 25 °C

With sodium tetrahydroborate; thionyl chloride; In ethanol;

DOI:10.1016/j.ejmech.2016.11.007

upstream raw materials:

2-methylenesuccinic acid

4-(trifluoromethoxy)aniline

Downstream raw materials:

3-ethyl-8-{1-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-ylmethyl]-1H-pyrazol-4-yl}-1-propyl-3,7-dihydropurine-2,6-dione

1,3-dipropyl-8-{1-[1-(4-trifluoromethoxyphenyl)pyrrolidin-3-ylmethyl]-1H-pyrazol-4-yl}-3,7-dihydropurine-2,6-dione

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