N-(3-Methyl-1-(4-nitrophenyl)-1H-pyrazol-5-yl)acetamide

Base Information

• Chemical Name: N-(3-Methyl-1-(4-nitrophenyl)-1H-pyrazol-5-yl)acetamide
• CAS No.: 77746-88-4
• Molecular Formula: C12H12N4O3
• Molecular Weight: 260.252
• DSSTox Substance ID: DTXSID40506612
• Wikidata: Q82362448

Synonyms:77746-88-4;N-(3-Methyl-1-(4-nitrophenyl)-1H-pyrazol-5-yl)acetamide;N-[3-Methyl-1-(4-nitrophenyl)-1H-pyrazol-5-yl]acetamide;DTXSID40506612

Chemical Property of N-(3-Methyl-1-(4-nitrophenyl)-1H-pyrazol-5-yl)acetamide

Chemical Property:

• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 260.09094026
• Heavy Atom Count: 19
• Complexity: 349

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NN(C(=C1)NC(=O)C)C2=CC=C(C=C2)[N+](=O)[O-]

Technology Process of N-(3-Methyl-1-(4-nitrophenyl)-1H-pyrazol-5-yl)acetamide

There total 2 articles about N-(3-Methyl-1-(4-nitrophenyl)-1H-pyrazol-5-yl)acetamide 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: 55.0%

5-methyl-2-(4-nitrophenyl)-2H-pyrazol-3-ylamine (16459-47-5) + acetyl chloride (75-36-5) → N-(3-methyl-1-(4-nitrophenyl)-1H-pyrazol-5-yl)acetamide (77746-88-4)

Guidance literature:

In pyridine; 1.) 5 deg C, 15 min; 2.) 15 min, r.t.;

Reference yield:

3-nitrophenylhydrazine (619-27-2) → N-(3-methyl-1-(4-nitrophenyl)-1H-pyrazol-5-yl)acetamide (77746-88-4)

Guidance literature:

Multi-step reaction with 2 steps

1: ethanol; acetic acid / 3 h / Heating

2: 59 percent / Ambient temperature

In ethanol; acetic acid;

Reference yield: 85.0%

N-(3-methyl-1-(4-nitrophenyl)-1H-pyrazol-5-yl)acetamide (77746-88-4) → N-[2-(4-Amino-phenyl)-5-methyl-2H-pyrazol-3-yl]-acetamide

Guidance literature:

With sodium tetrahydroborate; palladium on activated charcoal; In methanol; water; for 1h; Ambient temperature;

upstream raw materials:

5-methyl-2-(4-nitrophenyl)-2H-pyrazol-3-ylamine

acetyl chloride

3-nitrophenylhydrazine

Downstream raw materials:

N,N-Dimethyl-N'-[5-methyl-2-(4-nitro-phenyl)-2H-pyrazol-3-yl]-formamidine

N'-[4-Formyl-5-methyl-2-(4-nitro-phenyl)-2H-pyrazol-3-yl]-N,N-dimethyl-formamidine

C₁₅H₁₈N₈O₃

N,N-Dimethyl-N'-[5-methyl-2-(4-nitro-phenyl)-4-(phenyl-hydrazonomethyl)-2H-pyrazol-3-yl]-formamidine

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