1-(4-Fluorophenyl)-2-oxopyrrolidine-3-carboxylic acid

Base Information

• Chemical Name: 1-(4-Fluorophenyl)-2-oxopyrrolidine-3-carboxylic acid
• CAS No.: 618070-30-7
• Molecular Formula: C11H10FNO3
• Molecular Weight: 223.204
• Hs Code.: 2933790090
• European Community (EC) Number: 636-385-2
• DSSTox Substance ID: DTXSID10400395
• Mol file: 618070-30-7.mol

Synonyms:1-(4-fluorophenyl)-2-oxopyrrolidine-3-carboxylic acid;618070-30-7;1-(4-Fluoro-phenyl)-2-oxo-pyrrolidine-3-carboxylic acid;3-Pyrrolidinecarboxylic acid, 1-(4-fluorophenyl)-2-oxo-;GLASSYCARBON;SCHEMBL1137236;DTXSID10400395;GKKWONDBUXUCHF-UHFFFAOYSA-N;MFCD03932872;AKOS000169261;AKOS016843839;AB90928;AM807540;CS-0250925;EN300-52782;F83224;1-(4-fluorophenyl)-2-oxopyrrolidine-3-carboxylicacid;Z285921968;1-(4-FLUOROPHENYL)-2-OXO-3-PYRROLIDINECARBOXYLIC ACID

Chemical Property of 1-(4-Fluorophenyl)-2-oxopyrrolidine-3-carboxylic acid

Chemical Property:

• PSA: 57.61000
• LogP: 1.32820
• Storage Temp.: 2-8°C
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 223.06447134
• Heavy Atom Count: 16
• Complexity: 300

Purity/Quality:

97% ^*data from raw suppliers

1-(4-fluorophenyl)-2-oxopyrrolidine-3-carboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1CN(C(=O)C1C(=O)O)C2=CC=C(C=C2)F

Technology Process of 1-(4-Fluorophenyl)-2-oxopyrrolidine-3-carboxylic acid

There total 1 articles about 1-(4-Fluorophenyl)-2-oxopyrrolidine-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: 74.1%

cycl-isopropylidene cyclopropane-1,1-dicarboxylate (5617-70-9) + 4-fluoroaniline (371-40-4) → 1-(4-fluorophenyl)-2-oxopyrrolidine-3-carboxylic acid (618070-30-7)

Guidance literature:

In N,N-dimethyl-formamide; at 30 - 35 ℃; for 12h;

DOI:10.1016/j.bioorg.2020.103970

Reference yield: 98.0%

1-(4-fluorophenyl)-2-oxopyrrolidine-3-carboxylic acid (618070-30-7) + diazomethyl-trimethyl-silane (18107-18-1) → methyl 1-(4-fluorophenyl)-2-oxopyrrolidine-3-carboxylate (946505-20-0)

Guidance literature:

In tetrahydrofuran; methanol; diethyl ether; at 0 - 20 ℃; for 0.5h;

Reference yield:

1-(4-fluorophenyl)-2-oxopyrrolidine-3-carboxylic acid (618070-30-7) + ethyl 7-((4-(4-aminophenoxy)-6-methoxyquinolin-7-yl)oxy)heptanoate → C36H38FN3O7

Guidance literature:

With triethylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate; In dichloromethane; at 40 ℃;

DOI:10.1016/j.bioorg.2020.103970

upstream raw materials:

cycl-isopropylidene cyclopropane-1,1-dicarboxylate

4-fluoroaniline

Downstream raw materials:

methyl 1-(4-fluorophenyl)-2-oxopyrrolidine-3-carboxylate

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