dimethyl 4-nitro-1H-pyrazole-3,5-dicarboxylate

Base Information

• Chemical Name: dimethyl 4-nitro-1H-pyrazole-3,5-dicarboxylate
• CAS No.: 59694-23-4
• Molecular Formula: C7H7N3O6
• Molecular Weight: 229.14700
• Hs Code.: 2933199090
• European Community (EC) Number: 919-109-8
• DSSTox Substance ID: DTXSID70362905
• Wikidata: Q82146416
• Mol file: 59694-23-4.mol

Synonyms:dimethyl 4-nitro-1H-pyrazole-3,5-dicarboxylate;59694-23-4;3,5-Dimethyl 4-nitro-1h-pyrazole-3,5-dicarboxylate;4-Nitro-1H-pyrazole-3,5-dicarboxylic acid dimethyl ester;dimethyl 4-nitropyrazole-3,5-dicarboxylate;1H-Pyrazole-3,5-dicarboxylic acid, 4-nitro-, 3,5-dimethyl ester;SCHEMBL331623;DTXSID70362905;1H-Pyrazole-3,5-dicarboxylic acid, 4-nitro-, dimethyl ester;AMY34797;MFCD00195036;STK836801;AKOS000533014;SB21954;AS-50400;CS-0051598;dimethyl4-nitro-1H-pyrazole-3,5-dicarboxylate;P10097;A914189

Chemical Property of dimethyl 4-nitro-1H-pyrazole-3,5-dicarboxylate

Chemical Property:

• Vapor Pressure: 8.65E-07mmHg at 25°C
• Melting Point: 122-124 °C
• Boiling Point: 405.6oC at 760 mmHg
• PKA: 3.71±0.50(Predicted)
• Flash Point: 199.1oC
• PSA: 127.10000
• Density: 1.541g/cm3
• LogP: 0.41430
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 229.03348495
• Heavy Atom Count: 16
• Complexity: 314

Purity/Quality:

97% ^*data from raw suppliers

3,5-Dimethyl4-Nitro-1H-pyrazole-3,5-dicarboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=C(C(=NN1)C(=O)OC)[N+](=O)[O-]

Technology Process of dimethyl 4-nitro-1H-pyrazole-3,5-dicarboxylate

There total 5 articles about dimethyl 4-nitro-1H-pyrazole-3,5-dicarboxylate 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: 44.0%

methanol (67-56-1) + 4-nitro-1H-pyrazole-3,5-dicarboxylic acid (62078-43-7) → 4-nitro-1H-pyrazole-3,5-dicarboxylic acid dimethyl ester (59694-23-4)

Guidance literature:

With sulfuric acid; for 24h; Heating;

DOI:10.1021/jm00051a009

Reference yield:

3-methyl-4-nitropyrazole-5-carboxylic acid (5334-38-3) → 4-nitro-1H-pyrazole-3,5-dicarboxylic acid dimethyl ester (59694-23-4)

Guidance literature:

Multi-step reaction with 2 steps

1: 1.) aq. KOH, KMnO₄, 2.) AgNO₃ / 1.) reflux, 5 h, 2.) water, reflux, 15 min

2: 44 percent / conc. H₂SO₄ / 24 h / Heating

With potassium hydroxide; potassium permanganate; sulfuric acid; silver nitrate;

DOI:10.1021/jm00051a009

Reference yield:

3,5-dimethyl-1H-pyrazole (67-51-6) → 4-nitro-1H-pyrazole-3,5-dicarboxylic acid dimethyl ester (59694-23-4)

Guidance literature:

Multi-step reaction with 3 steps

1: nitric acid; sulfuric acid

2: potassium permanganate; hydrogenchloride

3: thionyl chloride

With hydrogenchloride; potassium permanganate; thionyl chloride; sulfuric acid; nitric acid;

DOI:10.1039/c9nj01445d

upstream raw materials:

methanol

4-nitro-1H-pyrazole-3,5-dicarboxylic acid

3-methyl-4-nitropyrazole-5-carboxylic acid

3,5-dimethyl-1H-pyrazole

Downstream raw materials:

1-methyl-3-(methoxycarbonyl)-4-nitropyrazole-5-carboxylic acid

1-(2-Methyl-5-nitro-2H-[1,2,4]triazol-3-yl)-4-nitro-1H-pyrazole-3,5-dicarboxylic acid dimethyl ester

1-methyl-3-nitro-1,2,4-triazol-5-one

Post a RFQ

Cas No.:

Product Name:

Quantity:

Please select Metric Ton KG G Pound L ML

Email:

Company name:

Valid Period:

Detailed Requirements:

• Sample
• MOQ
• GMP
• FDA
• Price
  FOB CIF CFR EXW
• Urgent purchase

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

Remove

Submit

1

What can I do for you?
Get Best Price

Get Best Price for 59694-23-4 4-nitro-1H-pyrazole-3,5-dicarboxylic acid diMethyl ester

Send

Send

Metric Ton KG G Pound L ML

Send

Send