1H-Pyrrole-2-carboxylicacid,3-amino-4-cyano-1-methyl-,ethylester(9CI)

Base Information

• Chemical Name: 1H-Pyrrole-2-carboxylicacid,3-amino-4-cyano-1-methyl-,ethylester(9CI)
• CAS No.: 145162-36-3
• Molecular Formula: C₉H₁₁N₃O₂
• Molecular Weight: 193.205
• Mol file: 145162-36-3.mol

Synonyms:3-Amino-4-cyano-1-methyl-1H-pyrrole-2-carboxylicacid ethyl ester

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

Chemical Property:

• PSA: 81.04000
• LogP: 1.23688

Purity/Quality:

Ethyl3-Amino-4-cyano-1-methyl-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-cyano-1-methyl-,ethylester(9CI)

There total 2 articles about 1H-Pyrrole-2-carboxylicacid,3-amino-4-cyano-1-methyl-,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: 60.0%

sarcosine ethyl ester hydrochloride (52605-49-9) + Ethoxymethylenemalononitrile (123-06-8) → 3-amino-4-cyan-1-methyl-pyrrol-2-carbonsaeureethylester (145162-36-3)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 60 ℃; for 6h;

DOI:10.1016/j.molstruc.2020.127974

Reference yield: 53.0%

2-((methylamino)methylene)malononitrile (79080-32-3) + ethyl bromoacetate (105-36-2) → 3-amino-4-cyan-1-methyl-pyrrol-2-carbonsaeureethylester (145162-36-3)

Guidance literature:

In N,N-dimethyl-formamide; at 100 ℃; for 5h;

DOI:10.1021/acs.jmedchem.5b01644

Reference yield:

3-amino-4-cyan-1-methyl-pyrrol-2-carbonsaeureethylester (145162-36-3) → C15H13N5

Guidance literature:

Multi-step reaction with 4 steps

1: N,N-dimethyl-formamide / 5 h / 100 °C

2: ammonia / ethanol / 5 h / Reflux

3: trichlorophosphate; triethylamine / 5 h / Reflux

4: triethylamine / N,N-dimethyl-formamide / 1 h / 110 °C / Microwave irradiation

With ammonia; triethylamine; trichlorophosphate; In ethanol; N,N-dimethyl-formamide;

DOI:10.1016/j.bbamem.2016.10.017

upstream raw materials:

2-((methylamino)methylene)malononitrile

ethyl bromoacetate

sarcosine ethyl ester hydrochloride

Ethoxymethylenemalononitrile

Downstream raw materials:

5-methyl-4-(4-phenethylpiperazin-1-yl)-5H-pyrrolo[3,2-d]-pyrimidine-7-carbonitrile

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