1H-Pyrrole-2-acetic acid, 5-benzoyl-, ethyl ester

Base Information

• Chemical Name: 1H-Pyrrole-2-acetic acid, 5-benzoyl-, ethyl ester
• CAS No.: 141054-41-3
• Molecular Formula: C15H15NO3
• Molecular Weight: 257.289
• DSSTox Substance ID: DTXSID20460248
• Nikkaji Number: J465.544C
• Wikidata: Q82284238
• Mol file: 141054-41-3.mol

Synonyms:1H-Pyrrole-2-acetic acid, 5-benzoyl-, ethyl ester;141054-41-3;Ethyl 2-(5-benzoyl-1H-pyrrol-2-yl)acetate;DTXSID20460248

Chemical Property of 1H-Pyrrole-2-acetic acid, 5-benzoyl-, ethyl ester

Chemical Property:

• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 257.10519334
• Heavy Atom Count: 19
• Complexity: 323

Purity/Quality:

95%+ or 98%+ ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CC1=CC=C(N1)C(=O)C2=CC=CC=C2

Technology Process of 1H-Pyrrole-2-acetic acid, 5-benzoyl-, ethyl ester

There total 4 articles about 1H-Pyrrole-2-acetic acid, 5-benzoyl-, ethyl 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: 86.0%

phenyl(1H-pyrrol-2-yl)methanone (7697-46-3) + ethyl 2-(ethoxythiocarbonylthio)acetate (3278-34-0) → ethyl 5-benzoylpyrrol-2-ylacetate (141054-41-3)

Guidance literature:

With dilauryl peroxide; In 1,2-dichloro-ethane; for 12h; Heating;

DOI:10.1039/b306966d

Reference yield: 32.0%

(1H-pyrrol-2-yl)acetic acid ethyl ester (4778-25-0) + benzoyl chloride (98-88-4) → ethyl 5-benzoylpyrrol-2-ylacetate (141054-41-3)

Guidance literature:

With aluminium trichloride; In nitromethane; 1,2-dichloro-ethane; 1.) 10 min, 0 deg C; 2.) 2 h, r.t.;

DOI:10.1016/S0040-4020(01)87212-4

Reference yield:

(1H-pyrrol-2-yl)acetic acid ethyl ester (4778-25-0) + N,N-dimethylbenzamide (611-74-5) → ethyl 5-benzoylpyrrol-2-ylacetate (141054-41-3)

Guidance literature:

With water; sodium acetate; trichlorophosphate; Yield given. Multistep reaction;

DOI:10.1080/00397919208019277

upstream raw materials:

(1H-pyrrol-2-yl)acetic acid ethyl ester

benzoyl chloride

N,N-dimethylbenzamide

phenyl(1H-pyrrol-2-yl)methanone

Downstream raw materials:

ethyl 3,5-dibenzoylpyrrol-2-ylacetate

5-benzoyl-pyrrole-2-acetic acid

2-benzoyl-4-phenylpyrano<4,3-b>pyrrol-6(1H)-one

3,5-dibenzoylpyrrol-2-ylacetic acid