ethyl (E)-3-[4-(4-chlorobenzoyl)-1-methyl-pyrrol-2-yl]prop-2-enoate

Base Information

Chemical Name:ethyl (E)-3-[4-(4-chlorobenzoyl)-1-methyl-pyrrol-2-yl]prop-2-enoate
CAS No.:128843-40-3
Molecular Formula:C₁₇H₁₆ClNO₃
Molecular Weight:317.772
Hs Code.:
ChEMBL ID:CHEMBL431271
DSSTox Substance ID:DTXSID201127386
Nikkaji Number:J347.546H

Synonyms:CHEMBL431271;DTXSID201127386;ethyl (E)-3-[4-(4-chlorobenzoyl)-1-methyl-pyrrol-2-yl]prop-2-enoate;128843-40-3;2-Propenoic acid, 3-[4-(4-chlorobenzoyl)-1-methyl-1H-pyrrol-2-yl]-, ethyl ester, (E)-;3-[4-(4-Chloro-benzoyl)-1-methyl-1H-pyrrol-2-yl]-acrylic acid ethyl ester

Suppliers and Price of ethyl (E)-3-[4-(4-chlorobenzoyl)-1-methyl-pyrrol-2-yl]prop-2-enoate

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of ethyl (E)-3-[4-(4-chlorobenzoyl)-1-methyl-pyrrol-2-yl]prop-2-enoate

Chemical Property:

XLogP3:3.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:6
Exact Mass:317.0818711
Heavy Atom Count:22
Complexity:430

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CCOC(=O)C=CC1=CC(=CN1C)C(=O)C2=CC=C(C=C2)Cl
Isomeric SMILES:CCOC(=O)/C=C/C1=CC(=CN1C)C(=O)C2=CC=C(C=C2)Cl

Technology Process of ethyl (E)-3-[4-(4-chlorobenzoyl)-1-methyl-pyrrol-2-yl]prop-2-enoate

There total 5 articles about ethyl (E)-3-[4-(4-chlorobenzoyl)-1-methyl-pyrrol-2-yl]prop-2-enoate 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: 81.0%

: 867-13-0
diethoxyphosphoryl-acetic acid ethyl ester

: 128843-60-7
4-(4-Chloro-benzoyl)-1-methyl-1H-pyrrole-2-carbaldehyde

: 128843-40-3
(E)-3-[4-(4-Chloro-benzoyl)-1-methyl-1H-pyrrol-2-yl]-acrylic acid ethyl ester

Guidance literature:: With potassium carbonate; In ethanol;
DOI:10.1021/jm00172a026

Reference yield:

: 96-54-8
N-Methylpyrrole

: 128843-40-3
(E)-3-[4-(4-Chloro-benzoyl)-1-methyl-1H-pyrrol-2-yl]-acrylic acid ethyl ester

Guidance literature:: Multi-step reaction with 3 steps

1: oxalyl chloride / 1,2-dichloro-ethane / 0.25 h / 20 °C

2: AlCl₃ / 1,2-dichloro-ethane / 3 h

3: K₂CO₃ / ethanol / 2 h / 70 °C

With aluminium trichloride; oxalyl dichloride; potassium carbonate; In ethanol; 1,2-dichloro-ethane; 1: Vilsmeier-Haack reaction / 2: Friedel-Crafts reaction / 3: Wittig-Horner reaction;
DOI:10.1021/jm021070e

Reference yield:

: 1192-58-1
N-methylpyrrole aldehyde

: 128843-40-3
(E)-3-[4-(4-Chloro-benzoyl)-1-methyl-1H-pyrrol-2-yl]-acrylic acid ethyl ester

Guidance literature:: Multi-step reaction with 2 steps

1: AlCl₃ / 1,2-dichloro-ethane / 3 h

2: K₂CO₃ / ethanol / 2 h / 70 °C

With aluminium trichloride; potassium carbonate; In ethanol; 1,2-dichloro-ethane; 1: Friedel-Crafts reaction / 2: Wittig-Horner reaction;
DOI:10.1021/jm021070e