1H-Pyrrole-2-carboxylic acid, 3,5-diphenyl-, methyl ester

Base Information

• Chemical Name: 1H-Pyrrole-2-carboxylic acid, 3,5-diphenyl-, methyl ester
• CAS No.: 89649-52-5
• Molecular Formula: C18H15NO2
• Molecular Weight: 277.323
• DSSTox Substance ID: DTXSID30456319
• Nikkaji Number: J3.100.060B
• Wikidata: Q82278713

Synonyms:1H-Pyrrole-2-carboxylic acid, 3,5-diphenyl-, methyl ester;89649-52-5;DTXSID30456319;3,5-Diphenyl-1H-pyrrole-2-carboxylic acid methyl ester

Chemical Property of 1H-Pyrrole-2-carboxylic acid, 3,5-diphenyl-, methyl ester

Chemical Property:

• XLogP3: 4.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 277.110278721
• Heavy Atom Count: 21
• Complexity: 345

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=C(C=C(N1)C2=CC=CC=C2)C3=CC=CC=C3

Technology Process of 1H-Pyrrole-2-carboxylic acid, 3,5-diphenyl-, methyl ester

There total 13 articles about 1H-Pyrrole-2-carboxylic acid, 3,5-diphenyl-, methyl ester 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: 94.0%

methyl 2,5-dioxo-3,5-diphenylpentanoate (1292310-23-6) → 3,5-diphenylpyrrole-2-carboxylate de methyle (89649-52-5)

Guidance literature:

With aminosulfonic acid; ammonium acetate; acetic acid; at 50 ℃; for 1h; regioselective reaction; neat (no solvent);

DOI:10.5012/bkcs.2012.33.2.620

Reference yield: 89.0%

methyl 4-nitro-3,5-diphenylpyrrolidine-2-carboxylate → 3,5-diphenylpyrrole-2-carboxylate de methyle (89649-52-5)

Guidance literature:

With 2,3-dicyano-5,6-dichloro-p-benzoquinone; In xylene; at 140 ℃; for 0.75h; Irradiation;

DOI:10.1021/jo062672z

Reference yield: 84.5%

→ 3,5-diphenylpyrrole-2-carboxylate de methyle (89649-52-5)

Guidance literature:

With triethylamine; In methanol; for 0.0833333h; Heating;

upstream raw materials:

3,5-diphenyl pyrrole-1,2-dicarboxylate de diethyle

1-(1-phenylvinyl)pyrrolidine

methyl 3-phenyl-2H-azirine-2-carboxylate

(±)-diethyl 3,5-diphenyl-3,4-dihydro-2H-pyrrole-2,2-dicarboxylate

Downstream raw materials:

2,4-diphenylpyrrole

3,5-diphenyl-1H-pyrrole-2-carboxylic acid

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