ethyl 3-amino-5-(tert-butyl)-1H-pyrrole-2-carboxylate

Base Information

Chemical Name:ethyl 3-amino-5-(tert-butyl)-1H-pyrrole-2-carboxylate
CAS No.:237435-98-2
Molecular Formula:C11H18N2O2
Molecular Weight:210.27
Hs Code.:
DSSTox Substance ID:DTXSID90594307
Nikkaji Number:J1.323.998C
Wikidata:Q82489104
Mol file:237435-98-2.mol

Synonyms:237435-98-2;ethyl 3-amino-5-(tert-butyl)-1H-pyrrole-2-carboxylate;SCHEMBL5775175;DTXSID90594307;SB63511;DB-297438;Ethyl 3-amino-5-tert-butyl-1H-pyrrole-2-carboxylate;ethyl3-amino-5-(tert-butyl)-1H-pyrrole-2-carboxylate

Suppliers and Price of ethyl 3-amino-5-(tert-butyl)-1H-pyrrole-2-carboxylate

Supply Marketing:

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

Manufacturers and distributors:

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Chemicals and raw materials
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Total 1 raw suppliers

Chemical Property of ethyl 3-amino-5-(tert-butyl)-1H-pyrrole-2-carboxylate

Chemical Property:

Boiling Point:350.0±42.0 °C(Predicted)
PKA:16.79±0.50(Predicted)
PSA：68.11000
Density:1.100±0.06 g/cm3(Predicted)
LogP:2.65230
XLogP3:2.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:210.136827821
Heavy Atom Count:15
Complexity:235

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOC(=O)C1=C(C=C(N1)C(C)(C)C)N

Technology Process of ethyl 3-amino-5-(tert-butyl)-1H-pyrrole-2-carboxylate

There total 3 articles about ethyl 3-amino-5-(tert-butyl)-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:

: 13433-00-6
diethyl aminomalonate hydrochloride

: 890926-74-6
1-cyano-3,3-dimethylbut-1-en-2-yl 4-methylbenzenesulfonate

: 237435-98-2
ethyl 3-amino-5-(tert-butyl)-1H-pyrrole-2-carboxylate

Guidance literature:: With sodium ethanolate; In tetrahydrofuran; ethanol; at 20 ℃; for 2h;
DOI:10.1021/jo9917902

Reference yield:

: 59997-51-2
trimethylacetylacetonitrile

: 237435-98-2
ethyl 3-amino-5-(tert-butyl)-1H-pyrrole-2-carboxylate

Guidance literature:: Multi-step reaction with 2 steps

1: Et₃N / CH₂Cl₂ / 16 h / 20 °C

2: 0.63 g / sodium ethoxide / ethanol; tetrahydrofuran / 2 h / 20 °C

With sodium ethanolate; triethylamine; In tetrahydrofuran; ethanol; dichloromethane; 1: Tosylation / 2: Addition;
DOI:10.1021/jo9917902