1H-Pyrrole-2-carboxylic acid, 3-amino-5-methyl-, ethyl ester

Base Information

• Chemical Name: 1H-Pyrrole-2-carboxylic acid, 3-amino-5-methyl-, ethyl ester
• CAS No.: 1005326-26-0
• Molecular Formula: C8H12N2O2
• Molecular Weight: 168.19
• Hs Code.: 2933990090
• Mol file: 1005326-26-0.mol

Synonyms:3-Amino-5-methyl-1H-pyrrole-2-carboxylic acid ethyl ester;

Chemical Property of 1H-Pyrrole-2-carboxylic acid, 3-amino-5-methyl-, ethyl ester

Chemical Property:

• Melting Point: 85-87 °C
• Boiling Point: 324.3±37.0 °C(Predicted)
• PKA: 16.66±0.50(Predicted)
• PSA: 68.11000
• Density: 1.195±0.06 g/cm3(Predicted)
• LogP: 1.66320
• Storage Temp.: 2-8°C

Purity/Quality:

99% ^*data from raw suppliers

Ethyl3-Amino-5-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-carboxylic acid, 3-amino-5-methyl-, ethyl ester

There total 3 articles about 1H-Pyrrole-2-carboxylic acid, 3-amino-5-methyl-, ethyl ester 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%

diethyl {[(E/Z)-2-cyano-1-methylvinyl]amino}malonate (1005326-24-8) → ethyl 3-amino-5-methyl-1H-pyrrole-2-carboxylate (1005326-26-0)

Guidance literature:

With sodium ethanolate; In ethanol; at 60 ℃; for 6h;

DOI:10.1021/jm701052u

Reference yield: 22.0%

diethyl (E)-2-((1-cyanoprop-1-en-2-yl)amino)malonate → ethyl 3-amino-5-methyl-1H-pyrrole-2-carboxylate (1005326-26-0)

Guidance literature:

With sodium ethanolate; In ethanol; at 37 - 80 ℃; for 16h; Large scale;

DOI:10.1021/acsmedchemlett.8b00013

Reference yield:

diethyl aminomalonate hydrochloride (13433-00-6) → ethyl 3-amino-5-methyl-1H-pyrrole-2-carboxylate (1005326-26-0)

Guidance literature:

Multi-step reaction with 2 steps

1: methanol / 86 h / 7 - 30 °C / Large scale

2: sodium ethanolate / ethanol / 16 h / 37 - 80 °C / Large scale

With sodium ethanolate; In methanol; ethanol;

DOI:10.1021/acsmedchemlett.8b00013

upstream raw materials:

diethyl {[(E/Z)-2-cyano-1-methylvinyl]amino}malonate

diethyl aminomalonate hydrochloride

Downstream raw materials:

4-chloro-2,6-dimethyl-5H-pyrrolo[3,2-d]pyrimidine

2,6-dimethyl-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one

7-Bromo-4-chloro-2,6-dimethyl-5H-pyrrolo[3,2-d]pyrimidine