Ethyl (2E)-3-{1-methyl-4-[(4-methylphenyl)-carbonyl]-1H-pyrrol-2-yl}prop-2-enoate

Base Information

Chemical Name:Ethyl (2E)-3-{1-methyl-4-[(4-methylphenyl)-carbonyl]-1H-pyrrol-2-yl}prop-2-enoate
CAS No.:428872-08-6
Molecular Formula:C18H19NO3
Molecular Weight:297.354
Hs Code.:2933990090
European Community (EC) Number:692-900-0
DSSTox Substance ID:DTXSID60471858
Wikidata:Q76421973
Mol file:428872-08-6.mol

Synonyms:428872-08-6;Ethyl (2E)-3-{1-methyl-4-[(4-methylphenyl)-carbonyl]-1H-pyrrol-2-yl}prop-2-enoate;Ethyl (E)-3-[1-methyl-4-(4-methylbenzoyl)pyrrol-2-yl]prop-2-enoate;Ethyl (2E)-3-[1-methyl-4-(4-methylbenzoyl)-1H-pyrrol-2-yl]prop-2-enoate;DTXSID60471858;MFCD21333202;AKOS015991230;AG-0203;J-502020;Ethyl 3-(1-methyl-4-(4-methylbenzoyl)-1H-pyrrol-2-yl)acrylate;(E)-ethyl 3-(1-methyl-4-(4-methylbenzoyl)-1H-pyrrol-2-yl)acrylate;ethyl (2E)-3-{1-methyl-4-[(4-methylphenyl)carbonyl]-1H-pyrrol-2-yl}prop-2-enoate

Suppliers and Price of Ethyl (2E)-3-{1-methyl-4-[(4-methylphenyl)-carbonyl]-1H-pyrrol-2-yl}prop-2-enoate

Supply Marketing:

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

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Matrix Scientific
Ethyl (2E)-3-{1-methyl-4-[(4-methylphenyl)-carbonyl]-1H-pyrrol-2-yl}prop-2-enoate 95+%
1g
$ 328.00

Matrix Scientific
Ethyl (2E)-3-{1-methyl-4-[(4-methylphenyl)-carbonyl]-1H-pyrrol-2-yl}prop-2-enoate 95+%
500mg
$ 262.00

Crysdot
Ethyl3-(1-methyl-4-(4-methylbenzoyl)-1H-pyrrol-2-yl)acrylate 95+%
5g
$ 609.00

AK Scientific
Ethyl(2E)-3-{1-methyl-4-[(4-methylphenyl)-carbonyl]-1H-pyrrol-2-yl}prop-2-enoate
500mg
$ 403.00

Total 2 raw suppliers

Chemical Property of Ethyl (2E)-3-{1-methyl-4-[(4-methylphenyl)-carbonyl]-1H-pyrrol-2-yl}prop-2-enoate

Chemical Property:

PSA：48.30000
LogP:3.14080
XLogP3:3.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:6
Exact Mass:297.13649347
Heavy Atom Count:22
Complexity:424

Purity/Quality:

98%min ^*data from raw suppliers

Ethyl (2E)-3-{1-methyl-4-[(4-methylphenyl)-carbonyl]-1H-pyrrol-2-yl}prop-2-enoate 95+% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOC(=O)C=CC1=CC(=CN1C)C(=O)C2=CC=C(C=C2)C
Isomeric SMILES:CCOC(=O)/C=C/C1=CC(=CN1C)C(=O)C2=CC=C(C=C2)C
Uses Ethyl (2E)-3-{1-Methyl-4-[(4-methylphenyl)-carbonyl]-1H-pyrrol-2-yl}prop-2-enoate is a useful compound for the analysis of a novel synthetic histone deacetylase inhibitor that induces histone hyperacetylation, growth inhibition, and terminal cell differentiation.

Technology Process of Ethyl (2E)-3-{1-methyl-4-[(4-methylphenyl)-carbonyl]-1H-pyrrol-2-yl}prop-2-enoate

There total 5 articles about Ethyl (2E)-3-{1-methyl-4-[(4-methylphenyl)-carbonyl]-1H-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: 92.0%

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

: 117378-81-1
1-metil-4-p-metilbenzoil-1H-pirrolo-2-carbossialdeide

: 428872-08-6
(E)-3-[1-Methyl-4-(4-methyl-benzoyl)-1H-pyrrol-2-yl]-acrylic acid ethyl ester

Guidance literature:: With potassium carbonate; In ethanol; at 70 ℃; for 2.5h;

Reference yield:

: 96-54-8
N-Methylpyrrole

: 428872-08-6
(E)-3-[1-Methyl-4-(4-methyl-benzoyl)-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

: 428872-08-6
(E)-3-[1-Methyl-4-(4-methyl-benzoyl)-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