1H-Pyrrole-2-carboxylicacid,3-amino-5-(1,1-dimethylethyl)-,methylester(9CI)

Base Information

• Chemical Name: 1H-Pyrrole-2-carboxylicacid,3-amino-5-(1,1-dimethylethyl)-,methylester(9CI)
• CAS No.: 216574-65-1
• Molecular Formula: C10H16 N2 O2
• Molecular Weight: 196.249
• Mol file: 216574-65-1.mol

Synonyms:3-Amino-5-tert-butyl-1H-pyrrole-2-carboxylicacid methyl ester

Chemical Property of 1H-Pyrrole-2-carboxylicacid,3-amino-5-(1,1-dimethylethyl)-,methylester(9CI)

Chemical Property:

• PSA: 68.11000
• LogP: 2.26220

Purity/Quality:

3-amino-5-(1,1-dimethylethyl)-1H-Pyrrole-2-carboxylicacidmethylester 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,3-amino-5-(1,1-dimethylethyl)-,methylester(9CI)

There total 5 articles about 1H-Pyrrole-2-carboxylicacid,3-amino-5-(1,1-dimethylethyl)-,methylester(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: 100.0%

methyl 5-tert-butyl-3-nitropyrrole-2-carboxylate (216574-64-0) → methyl 3-amino-5-tert-butylpyrrole-2-carboxylate (216574-65-1)

Guidance literature:

With hydrogen; palladium on activated charcoal;

DOI:10.1016/S0960-894X(00)00574-6

Reference yield:

diethyl aminomalonate hydrochloride salt + 1-cyano-3,3-dimethylbut-1-en-2-yl 4-methylbenzenesulfonate (890926-74-6) → methyl 3-amino-5-tert-butylpyrrole-2-carboxylate (216574-65-1)

Guidance literature:

With sodium methylate; In methanol; at 20 ℃; for 2h;

Reference yield:

methyl Pyrrole-2-carboxylate (1193-62-0) → methyl 3-amino-5-tert-butylpyrrole-2-carboxylate (216574-65-1)

Guidance literature:

Multi-step reaction with 4 steps

1: methanol

2: AlMe₃

3: 32 percent / HNO₃; H₂SO₄

4: 100 percent / H₂ / Pd/C

With sulfuric acid; hydrogen; trimethylaluminum; nitric acid; palladium on activated charcoal; In methanol; 2: Friedel-Crafts alkylation;

DOI:10.1016/S0960-894X(00)00574-6

upstream raw materials:

methyl 5-tert-butyl-3-nitropyrrole-2-carboxylate

methyl Pyrrole-2-carboxylate

methyl 5-tert-butylpyrrole-2-carboxylate

1-cyano-3,3-dimethylbut-1-en-2-yl 4-methylbenzenesulfonate

Downstream raw materials:

N-(2-Carbomethoxy-5-tert-butyl-3-pyrrolyl)-N'-(2,3-dichlorophenyl)urea

methyl 3-(benzyloxycarbonyl)-5-tert-butyl-1H-pyrrole-2-carboxylate