Methyl 5-amino-1-methyl-1H-pyrrole-2-carboxylate

Base Information

• Chemical Name: Methyl 5-amino-1-methyl-1H-pyrrole-2-carboxylate
• CAS No.: 166182-90-7
• Molecular Formula: C7H10 N2O2
• Molecular Weight: 154.17
• Hs Code.: 2933990090
• European Community (EC) Number: 893-434-2
• DSSTox Substance ID: DTXSID90582067
• Wikidata: Q82473395
• Mol file: 166182-90-7.mol

Synonyms:166182-90-7;Methyl 5-amino-1-methyl-1H-pyrrole-2-carboxylate;methyl 5-amino-1-methylpyrrole-2-carboxylate;5-AMINO-1-METHYL-1H-PYRROLE-2-CARBOXYLIC ACID METHYL ESTER;1H-Pyrrole-2-carboxylic acid, 5-amino-1-methyl-, methyl ester;SCHEMBL8108945;DTXSID90582067;CONOJFVXWDLLCO-UHFFFAOYSA-N;AKOS016007332;SB62507;CS-0361886;methyl N-methyl-5-amino-2-pyrrolecarboxylate;F18362;A882347

Chemical Property of Methyl 5-amino-1-methyl-1H-pyrrole-2-carboxylate

Chemical Property:

• PSA: 57.25000
• LogP: 0.97510
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 154.074227566
• Heavy Atom Count: 11
• Complexity: 161

Purity/Quality:

97% ^*data from raw suppliers

Methyl5-amino-1-methyl-1H-pyrrole-2-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C(=CC=C1N)C(=O)OC

Technology Process of Methyl 5-amino-1-methyl-1H-pyrrole-2-carboxylate

There total 5 articles about Methyl 5-amino-1-methyl-1H-pyrrole-2-carboxylate 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%

N-methyl-5-nitropyrrole-2-carboxylic acid methyl ester (13138-75-5) → methyl 5-amino-1-methylpyrrole-2-carboxylate (166182-90-7)

Guidance literature:

With hydrogen; palladium on activated charcoal; In tetrahydrofuran; for 4.5h;

DOI:10.1039/b607707b

Reference yield:

C7H8N4O2 → methyl 5-amino-1-methylpyrrole-2-carboxylate (166182-90-7)

Guidance literature:

With ammonium sulfide; In water; acetonitrile; at 20 ℃; for 0.5h; Inert atmosphere;

DOI:10.1021/ja305574k

Reference yield:

C13H13IN4O2 → methyl 5-amino-1-methylpyrrole-2-carboxylate (166182-90-7)

Guidance literature:

Multi-step reaction with 2 steps

1: copper(l) chloride / water; acetonitrile; dimethyl sulfoxide / 0.5 h / 20 °C / Inert atmosphere

2: ammonium sulfide / water; acetonitrile / 0.5 h / 20 °C / Inert atmosphere

With ammonium sulfide; copper(l) chloride; In water; dimethyl sulfoxide; acetonitrile;

DOI:10.1021/ja305574k

upstream raw materials:

N-methyl-5-nitropyrrole-2-carboxylic acid methyl ester

methyl N-methylpyrrole-2-carboxylate

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