1H-Pyrrole-2-carboxylicacid,3-amino-4,5-dimethyl-,ethylester(9CI)

Base Information

• Chemical Name: 1H-Pyrrole-2-carboxylicacid,3-amino-4,5-dimethyl-,ethylester(9CI)
• CAS No.: 230646-11-4
• Molecular Formula: C₉H₁₄N₂O₂
• Molecular Weight: 182.222
• Mol file: 230646-11-4.mol

Synonyms:1H-Pyrrole-2-carboxylicacid,3-amino-4,5-dimethyl-,ethylester(9CI);ethyl 3-amino-4,5-dimethyl-1H-pyrrole-2-carboxylate

Chemical Property of 1H-Pyrrole-2-carboxylicacid,3-amino-4,5-dimethyl-,ethylester(9CI)

Chemical Property:

• PSA: 68.11000
• LogP: 1.97160
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C

Purity/Quality:

97% ^*data from raw suppliers

ethyl3-amino-4,5-dimethyl-1H-pyrrole-2-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 1H-Pyrrole-2-carboxylicacid,3-amino-4,5-dimethyl-,ethylester(9CI)

There total 2 articles about 1H-Pyrrole-2-carboxylicacid,3-amino-4,5-dimethyl-,ethylester(9CI) 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: 69.0%

ethyl (Z)-(3-cyanobut-2-en-2-yl)glycinate → ethyl 3-amino-4,5-dimethyl-1H-pyrrole-2-carboxylate (230646-11-4)

Guidance literature:

With sodium ethanolate; In ethanol; at 70 ℃; for 6h;

DOI:10.1016/S0014-827X(98)00110-4

Reference yield:

2-methyl-3-oxo-butyronitrile (4468-47-7,128252-16-4) → ethyl 3-amino-4,5-dimethyl-1H-pyrrole-2-carboxylate (230646-11-4)

Guidance literature:

Multi-step reaction with 2 steps

1: 71 percent / Et₃N / ethanol / 16 h / 20 °C

2: 69 percent / EtONa / ethanol / 6 h / 70 °C

With sodium ethanolate; triethylamine; In ethanol; 1: Condensation / 2: Cyclization;

DOI:10.1016/S0014-827X(98)00110-4

Reference yield: 89.0%

phenyl isothiocyanate (103-72-0) + ethyl 3-amino-4,5-dimethyl-1H-pyrrole-2-carboxylate (230646-11-4) → ethyl 4,5-dimethyl-3-(3-phenylthioureido)-1H-pyrrole-2-carboxylate

Guidance literature:

In ethanol; at 70 ℃; for 6h;

DOI:10.1021/acs.jmedchem.7b00797

upstream raw materials:

2-methyl-3-oxo-butyronitrile

Downstream raw materials:

Ethyl (E)-3-(cinnamoylamino)-4,5-dimethylpyrrole-2-carboxylate

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