Ethyl 5-(benzyloxycarbonyl)-2,4-dimethyl-3-pyrroleacetate

Base Information

Chemical Name:Ethyl 5-(benzyloxycarbonyl)-2,4-dimethyl-3-pyrroleacetate
CAS No.:52091-12-0
Molecular Formula:C18H21NO4
Molecular Weight:315.369
Hs Code.:
European Community (EC) Number:660-803-2
Mol file:52091-12-0.mol

Synonyms:ETHYL 5-(BENZYLOXYCARBONYL)-2,4-DIMETHYL-3-PYRROLEACETATE;SCHEMBL9423196;MMGKDFIJODCFNG-UHFFFAOYSA-N;AKOS024325178;benzyl 4-ethoxycarbonylmethyl-3,5-dimethylpyrrole-2-carboxylate

Suppliers and Price of Ethyl 5-(benzyloxycarbonyl)-2,4-dimethyl-3-pyrroleacetate

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
ETHYL-5-(BENZYLOXYCARBONYL)-2,4-DIMETHYL-3-PYRROLEACETATE 95.00%
5MG
$ 501.97

Total 0 raw suppliers

Chemical Property of Ethyl 5-(benzyloxycarbonyl)-2,4-dimethyl-3-pyrroleacetate

Chemical Property:

PSA：68.39000
LogP:3.09410
XLogP3:3.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:8
Exact Mass:315.14705815
Heavy Atom Count:23
Complexity:406

Purity/Quality:: ETHYL-5-(BENZYLOXYCARBONYL)-2,4-DIMETHYL-3-PYRROLEACETATE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOC(=O)CC1=C(NC(=C1C)C(=O)OCC2=CC=CC=C2)C

Technology Process of Ethyl 5-(benzyloxycarbonyl)-2,4-dimethyl-3-pyrroleacetate

There total 4 articles about Ethyl 5-(benzyloxycarbonyl)-2,4-dimethyl-3-pyrroleacetate 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: 33.0%

: 18835-02-4
ethyl 3-acetyl-4-oxopentanoate

: 27331-98-2
benzyl (Z/E)-2-hydroxyimino-3-oxobutanoate

: 52091-12-0
benzyl 4-ethoxycarbonylmethyl-3,5-dimethylpyrrole-2-carboxylate

Guidance literature:: ethyl 3-acetyl-4-oxopentanoate; With acetic acid; at 80 ℃;

benzyl (Z/E)-2-hydroxyimino-3-oxobutanoate; With water; sodium acetate; zinc; at 70 ℃; Boiling water bath;
DOI:10.1016/j.bmc.2010.12.053

Reference yield:

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

: 52091-12-0
benzyl 4-ethoxycarbonylmethyl-3,5-dimethylpyrrole-2-carboxylate

Guidance literature:: Multi-step reaction with 2 steps

1.1: potassium carbonate / acetone / 1.5 h / Reflux

2.1: acetic acid / 80 °C

2.2: 70 °C / Boiling water bath

With potassium carbonate; acetic acid; In acetone; 2.2: Knorr type reaction;
DOI:10.1016/j.bmc.2010.12.053