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

Base Information

• Chemical Name: 1H-Pyrrole-2-carboxylicacid,4-amino-3,5-dimethyl-,ethylester(9CI)
• CAS No.: 100818-55-1
• Molecular Formula: C₉H₁₄N₂O₂
• Molecular Weight: 182.222
• Mol file: 100818-55-1.mol

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

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

Chemical Property:

• Melting Point: 125.5 °C
• Boiling Point: 347.2±37.0 °C(Predicted)
• PKA: 16.96±0.50(Predicted)
• PSA: 68.11000
• Density: 1.160±0.06 g/cm3(Predicted)
• LogP: 1.97160

Purity/Quality:

4-amino-3,5-dimethyl-1H-Pyrrole-2-carboxylicacidethylester 97.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

There total 6 articles about 1H-Pyrrole-2-carboxylicacid,4-amino-3,5-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: 91.0%

ethyl 3,5-dimethyl-4-nitropyrrole-2-carboxylate (5463-44-5) → 4-amino-3,5-dimethyl-pyrrole-2-carboxylic acid ethyl ester (100818-55-1)

Guidance literature:

With hydrogenchloride; tin;

DOI:10.1016/S0040-4039(00)98997-4

Reference yield: 55.0%

3,5-Dimethyl-4-(4-nitro-phenylazo)-1H-pyrrole-2-carboxylic acid ethyl ester (100818-61-9) → 4-amino-3,5-dimethyl-pyrrole-2-carboxylic acid ethyl ester (100818-55-1)

Guidance literature:

With tin(ll) chloride; In acetic acid;

DOI:10.1016/S0040-4039(00)98997-4

Reference yield:

3,5-dimethyl-2-ethoxycarbonyl-1H-pyrrole (2199-44-2) → 4-amino-3,5-dimethyl-pyrrole-2-carboxylic acid ethyl ester (100818-55-1)

Guidance literature:

Multi-step reaction with 2 steps

1: 17 percent / direct nitration

2: 91 percent / Sn, HCl

With hydrogenchloride; tin;

DOI:10.1016/S0040-4039(00)98997-4

upstream raw materials:

ethyl 3,5-dimethyl-4-nitropyrrole-2-carboxylate

3,5-Dimethyl-4-(4-nitro-phenylazo)-1H-pyrrole-2-carboxylic acid ethyl ester

3,5-dimethyl-2-ethoxycarbonyl-1H-pyrrole

ethyl 2-amino-3-oxobutanoate hydrochloride

Downstream raw materials:

ethyl 3,5-dimethyl-4-fluoropyrrole-2-carboxylate