ethyl 4-(4-ethoxybenzyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate

Base Information

Chemical Name:ethyl 4-(4-ethoxybenzyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
CAS No.:32542-16-8
Molecular Formula:C₁₈H₂₃NO₃
Molecular Weight:301.386
Hs Code.:2933990090
DSSTox Substance ID:DTXSID80353728
Nikkaji Number:J2.672.713H
Wikidata:Q82131475
ChEMBL ID:CHEMBL600689
Mol file:32542-16-8.mol

Synonyms:ethyl 4-(4-ethoxybenzyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate;32542-16-8;4-(4-Ethoxy-benzyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester;GNF-Pf-4706;DHOD Inhibitor, 5;Oprea1_137491;Oprea1_172147;CBDivE_010586;CHEMBL600689;SCHEMBL12541952;BDBM92606;DTXSID80353728;HMS1672J07;STK835232;AKOS000547963;EC-000.1619;US8703811, 6

Suppliers and Price of ethyl 4-(4-ethoxybenzyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate

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

American Custom Chemicals Corporation
4-(4-ETHOXY-BENZYL)-3,5-DIMETHYL-1H-PYRROLE-2-CARBOXYLIC ACID ETHYL ESTER 95.00%
5MG
$ 496.06

Total 2 raw suppliers

Chemical Property of ethyl 4-(4-ethoxybenzyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate

Chemical Property:

Vapor Pressure:3.09E-08mmHg at 25°C
Refractive Index:1.549
Boiling Point:448.5°Cat760mmHg
Flash Point:225°C
PSA：51.32000
Density:1.097g/cm³
LogP:3.79770
XLogP3:4.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:7
Exact Mass:301.16779360
Heavy Atom Count:22
Complexity:352

Purity/Quality:

99% ^*data from raw suppliers

4-(4-ETHOXY-BENZYL)-3,5-DIMETHYL-1H-PYRROLE-2-CARBOXYLIC ACID ETHYL ESTER 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOC1=CC=C(C=C1)CC2=C(NC(=C2C)C(=O)OCC)C

Technology Process of ethyl 4-(4-ethoxybenzyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate

There total 3 articles about ethyl 4-(4-ethoxybenzyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate 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: 65.0%

: 32544-51-7
3-(4-ethoxybenzyl)pentane-2,4-dione

: 5408-04-8
ethyl 2-hydroxyimino-3-oxobutanoate

: 32542-16-8
ethyl 4-(4-ethoxybenzyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate

Guidance literature:: With acetic acid; zinc; at 15 - 20 ℃; Heating;
DOI:10.1021/acs.jmedchem.0c00311

Reference yield:

: 2606-57-7
4-ethoxybenzyl bromide

: 123-54-6,81235-32-7
acetylacetone

: 32542-16-8
ethyl 4-(4-ethoxybenzyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate

Guidance literature:: Multi-step reaction with 2 steps

1: potassium carbonate / acetone / 12 h / 60 °C

2: acetic acid; zinc / 15 - 20 °C / Heating

With potassium carbonate; acetic acid; zinc; In acetone;
DOI:10.1021/acs.jmedchem.0c00311