4-amino-N,1-dimethyl-1H-pyrazole-3-carboxamide

Base Information

• Chemical Name: 4-amino-N,1-dimethyl-1H-pyrazole-3-carboxamide
• CAS No.: 1001500-41-9
• Molecular Formula: C₆H₁₀N₄O
• Molecular Weight: 154.172
• DSSTox Substance ID: DTXSID50426897
• Wikidata: Q82239689
• Mol file: 1001500-41-9.mol

Synonyms:4-amino-N,1-dimethyl-1H-pyrazole-3-carboxamide;1001500-41-9;4-amino-N,1-dimethylpyrazole-3-carboxamide;4-Amino-1-methyl-1H-pyrazole-3-carboxylic acid methylamide;SCHEMBL1559700;DTXSID50426897;UMHVAZMWVVGRCV-UHFFFAOYSA-N;BBL039268;MFCD04969452;STK313246;AKOS000309571;LS-03281;BB 0260622;CS-0301304;FT-0692411;EN300-229531;4-AMINO-N~3~,1-DIMETHYL-1H-PYRAZOLE-3-CARBOXAMIDE;4-Amino-N,1-dimethyl-1H-pyrazole-3-carboxamide, AldrichCPR

Chemical Property of 4-amino-N,1-dimethyl-1H-pyrazole-3-carboxamide

Chemical Property:

• XLogP3: -0.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 154.08546096
• Heavy Atom Count: 11
• Complexity: 161

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-Amino-N,1-dimethyl-1H-pyrazole-3-carboxamide Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CNC(=O)C1=NN(C=C1N)C

Technology Process of 4-amino-N,1-dimethyl-1H-pyrazole-3-carboxamide

There total 3 articles about 4-amino-N,1-dimethyl-1H-pyrazole-3-carboxamide 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%

N,1-dimethyl-4-nitro-1H-pyrazole-3-carboxamide (405279-32-5) → 4-amino-N,1-dimethyl-1H-pyrazole-3-carboxamide (1001500-41-9)

Guidance literature:

With hydrogen; palladium 10% on activated carbon; In ethanol; at 20 ℃; Inert atmosphere;

Reference yield:

1-methyl-4-nitro-1H-pyrazole-3-carboxylic acid (4598-86-1) → 4-amino-N,1-dimethyl-1H-pyrazole-3-carboxamide (1001500-41-9)

Guidance literature:

Multi-step reaction with 2 steps

1.1: 1,1'-carbonyldiimidazole / tetrahydrofuran / 1 h / 17 - 25 °C

1.2: 1 h / 0 °C

2.1: hydrogen / palladium on activated charcoal / methanol / Inert atmosphere

With hydrogen; 1,1'-carbonyldiimidazole; palladium on activated charcoal; In tetrahydrofuran; methanol;

Reference yield:

1-methyl-4-nitro-1H-pyrazole-3-carboxylic acid methyl ester (400877-57-8) → 4-amino-N,1-dimethyl-1H-pyrazole-3-carboxamide (1001500-41-9)

Guidance literature:

Multi-step reaction with 2 steps

1: water / 90 °C / Sealed tube

2: palladium on activated charcoal; hydrogen / methanol / 20 °C

With palladium on activated charcoal; hydrogen; In methanol; water;

upstream raw materials:

N,1-dimethyl-4-nitro-1H-pyrazole-3-carboxamide

1-methyl-4-nitro-1H-pyrazole-3-carboxylic acid methyl ester

1-methyl-4-nitro-1H-pyrazole-3-carboxylic acid

Refernces

• 1、 -. "NITROGEN CONTAINING HETEROARYL COMPOUNDS". Page/Page column 44. . Retrieved 2012/01/03.
• 2、 -. "PYRIDINE COMPOUNDS". Page/Page column 202-203. . Retrieved 2010/01/12.