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

Base Information

• Chemical Name: 1-(4-Bromophenyl)-2-oxopyrrolidine-3-carboxylic acid
• CAS No.: 226881-07-8
• Molecular Formula: C11H10 Br N O3
• Molecular Weight: 284.109
• Hs Code.: 2933790090
• European Community (EC) Number: 632-177-0
• DSSTox Substance ID: DTXSID10394023
• Nikkaji Number: J2.138.085G
• Mol file: 226881-07-8.mol

Synonyms:1-(4-bromophenyl)-2-oxopyrrolidine-3-carboxylic acid;226881-07-8;SCHEMBL6936690;DTXSID10394023;PHJMARYQKJGPKG-UHFFFAOYSA-N;MFCD03932875;AKOS000164330;AKOS022203222;WS-01137;CS-0333541;FT-0754575;1-(4-bromophenyl)-3-carboxy-2-pyrrolidinone;D85583;EN300-23063968;1-(4-bromophenyl)-2-oxopyrrolidine-3-carboxylicacid;Z285922004;1-(4-BROMOPHENYL)-2-OXO-3-PYRROLIDINECARBOXYLIC ACID

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

Chemical Property:

• PSA: 57.61000
• LogP: 1.95160
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 282.98441
• Heavy Atom Count: 16
• Complexity: 300

Purity/Quality:

97% ^*data from raw suppliers

1-(4-Bromophenyl)-2-oxopyrrolidine-3-carboxylicacid 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

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

There total 2 articles about 1-(4-Bromophenyl)-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: 73.0%

cycl-isopropylidene cyclopropane-1,1-dicarboxylate (5617-70-9) + 4-bromo-aniline (106-40-1) → N-(4-bromophenyl)-2-oxo-pyrrolidine-3-carboxylic acid (226881-07-8)

Guidance literature:

at 25 ℃;

DOI:10.1016/j.tet.2007.01.058

Reference yield: 50.2%

cyclopropane-1,1-dicarboxylic acid (598-10-7) + sodium hydrogencarbonate (144-55-8) + 4-bromo-aniline (106-40-1) → N-(4-bromophenyl)-2-oxo-pyrrolidine-3-carboxylic acid (226881-07-8)

Guidance literature:

In ethyl acetate; acetonitrile;

Reference yield: 81.0%

N-(4-bromophenyl)-2-oxo-pyrrolidine-3-carboxylic acid (226881-07-8) → [N-(4-bromophenyl)pyrrolidin-3-yl]methanol (848317-67-9)

Guidance literature:

With sodium tetrahydroborate; iodine; In tetrahydrofuran; at 25 ℃; for 2h;

DOI:10.1016/j.tetlet.2004.12.107

upstream raw materials:

cycl-isopropylidene cyclopropane-1,1-dicarboxylate

4-bromo-aniline

cyclopropane-1,1-dicarboxylic acid

sodium hydrogencarbonate

Downstream raw materials:

[N-(4-bromophenyl)pyrrolidin-3-yl]methanol

N-(4-bromophenyl)-3-formylpyrrole