Methyl 1-Methyl-4-nitro-1H-pyrazole-3-carboxylate

Base Information

• Chemical Name: Methyl 1-Methyl-4-nitro-1H-pyrazole-3-carboxylate
• CAS No.: 400877-57-8
• Molecular Formula: C6H7N3O4
• Molecular Weight: 185.13700
• Hs Code.: 2933199090
• Mol file: 400877-57-8.mol

Synonyms:methyl 1-methyl-4-nitropyrazole-3-carboxylate;

Chemical Property of Methyl 1-Methyl-4-nitro-1H-pyrazole-3-carboxylate

Chemical Property:

• Melting Point: 122-123 °C
• Boiling Point: 306.6±22.0 °C(Predicted)
• PKA: -4.49±0.10(Predicted)
• PSA: 89.94000
• Density: 1.49±0.1 g/cm3(Predicted)
• LogP: 0.63810
• Storage Temp.: Sealed in dry,Room Temperature

Purity/Quality:

99% ^*data from raw suppliers

Methyl1-Methyl-4-nitro-1H-pyrazole-3-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of Methyl 1-Methyl-4-nitro-1H-pyrazole-3-carboxylate

There total 14 articles about Methyl 1-Methyl-4-nitro-1H-pyrazole-3-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: 84.1%

methyl 4-nitro-1H-pyrazole-3-carboxylate (138786-86-4,1345513-95-2) + methyl iodide (74-88-4) → 1-methyl-4-nitro-1H-pyrazole-3-carboxylic acid methyl ester (400877-57-8)

Guidance literature:

With sodium hydride; In tetrahydrofuran; mineral oil; at 20 ℃; for 6.5h; Cooling with ice;

Reference yield: 82.8%

methyl 4-nitro-1H-pyrazole-3-carboxylate (138786-86-4,1345513-95-2) → 1-methyl-4-nitro-1H-pyrazole-3-carboxylic acid methyl ester (400877-57-8)

Guidance literature:

methyl 4-nitro-1H-pyrazole-3-carboxylate; With sodium nitrite; In tetrahydrofuran; at 0 ℃; for 1h;

With methyl iodide; In tetrahydrofuran; at 25 ℃; for 18h;

Reference yield: 82.8%

aqueous ammonium chloride + methyl 4-nitro-1H-pyrazole-3-carboxylate (138786-86-4,1345513-95-2) + methyl iodide (74-88-4) → 1-methyl-4-nitro-1H-pyrazole-3-carboxylic acid methyl ester (400877-57-8)

Guidance literature:

In tetrahydrofuran; ethyl acetate; Petroleum ether;

upstream raw materials:

methyl 4-nitro-1H-pyrazole-3-carboxylate

methyl iodide

4-nitro-2H-pyrazole-3-carboxylic acid methyl ester

Methyl p-tolyl sulfone

Downstream raw materials:

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

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

Refernces

• 1、 -. "Piperidine compound and preparation method and medical application thereof". Paragraph 0296-0301. . Retrieved 2021/04/07.
• 2、 Chen, Caiping,Chen, Hui,Cheng, Keguang,Li, Minglei,Liu, Jun,Liu, Shengjie,Sun, Hongbin,Wang, Yue,Wen, Xiaoan,Xu, Qing-Long,Yuan, Haoliang,Zhou, Jin,Zhou, Shuxi,Zhou, Xinyu. "N-benzylpiperidinol derivatives as novel USP7 inhibitors: Structure–activity relationships and X-ray crystallographic studies". supporting information. . Retrieved 2020/06/03.