ethyl 3-oxo-3-(1H-pyrrol-2-yl)propanoate

Base Information

• Chemical Name: ethyl 3-oxo-3-(1H-pyrrol-2-yl)propanoate
• CAS No.: 169376-35-6
• Molecular Formula: C₉H₁₁NO₃
• Molecular Weight: 181.191
• European Community (EC) Number: 882-478-8
• NSC Number: 81357
• DSSTox Substance ID: DTXSID60292287
• Wikidata: Q82030536
• Mol file: 169376-35-6.mol

Synonyms:ethyl 3-oxo-3-(1H-pyrrol-2-yl)propanoate;169376-35-6;ETHYL-2-PYRROLOYL-ACETATE;NSC81357;SCHEMBL5160927;DTXSID60292287;MFCD05863374;NSC-81357;AKOS006295737;SB62488;AS-58426;CS-0163120;C73261;EN300-261898;A926998;Z1198166124

Chemical Property of ethyl 3-oxo-3-(1H-pyrrol-2-yl)propanoate

Chemical Property:

• PSA: 59.16000
• LogP: 1.15060
• Storage Temp.: 2-8°C
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 181.07389321
• Heavy Atom Count: 13
• Complexity: 203

Purity/Quality:

98%min ^*data from raw suppliers

ethyl3-oxo-3-(1H-pyrrol-2-yl)propanoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CC(=O)C1=CC=CN1

Technology Process of ethyl 3-oxo-3-(1H-pyrrol-2-yl)propanoate

There total 2 articles about ethyl 3-oxo-3-(1H-pyrrol-2-yl)propanoate 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:

2-Acetylpyrrole (1072-83-9) + Diethyl carbonate (105-58-8,76619-83-5) → 2-<1-Oxo-2-ethoxycarbonyl-ethyl>-pyrrol (169376-35-6)

Guidance literature:

With sodium hydride; In tetrahydrofuran; Reflux;

DOI:10.1002/adsc.201500691

Reference yield:

ethyl chlorocarbonylacetate (36239-09-5) → 2-<1-Oxo-2-ethoxycarbonyl-ethyl>-pyrrol (169376-35-6)

Guidance literature:

With diethyl ether;

upstream raw materials:

ethyl chlorocarbonylacetate

2-Acetylpyrrole

Diethyl carbonate

Refernces

• 1、 Xing, Li-Juan,Lu, Tao,Fu, Wei-Li,Lou, Mei-Mei,Chen, Bo,Wang, Zhi-Shen,Jin, Yang,Li, Dan,Wang, Bin. "1,5-Diketones Synthesis via Three-Component Cascade Reaction". supporting information. p. 3076 - 3080. Retrieved 2015/11/03.