- Synthesis of related substances of sildenafilZhang, Mingguang; Xia, Zhengjun; Ma, Yanqi; Zang, Lujie; Chen, Zaixin, Zhongguo Yiyao Gongye Zazhi, 2013, 44(9), 848-853
Cas no 911715-34-9 (3-Isobutyl-1-methyl-4-nitro-1H-pyrazole-5-carboxamide)
3-Isobutyl-1-methyl-4-nitro-1H-pyrazole-5-carboxamide is a nitro-substituted pyrazole derivative with potential applications in pharmaceutical and agrochemical research. Its structural features, including the isobutyl and carboxamide functional groups, contribute to its reactivity and binding affinity, making it a valuable intermediate in synthetic chemistry. The nitro group enhances electrophilic properties, facilitating further derivatization. This compound exhibits stability under standard conditions, ensuring consistent performance in reactions. Its well-defined molecular structure allows for precise modifications, supporting the development of novel bioactive compounds. Researchers may explore its utility in medicinal chemistry for targeted drug design or as a scaffold for agrochemical formulations. Proper handling and storage are recommended to maintain its integrity.
911715-34-9 structure
Product Name:3-Isobutyl-1-methyl-4-nitro-1H-pyrazole-5-carboxamide
CAS No:911715-34-9
MF:C9H14N4O3
MW:226.232461452484
CID:2128758
Update Time:2025-05-28
3-Isobutyl-1-methyl-4-nitro-1H-pyrazole-5-carboxamide Chemical and Physical Properties
Names and Identifiers
-
- 1-methyl-3-(2-methylpropyl)-4-nitro-1H-Pyrazole-5-carboxamide
- 3-isobutyl-1-methyl-4-nitro-1H-pyrazole-5-carboxamide
- 1-Methyl-3-(2-methylpropyl)-4-nitro-1H-pyrazole-5-carboxamide (ACI)
- 3-Isobutyl-1-methyl-4-nitro-1H-pyrazole-5-carboxamide
-
- Inchi： 1S/C9H14N4O3/c1-5(2)4-6-7(13(15)16)8(9(10)14)12(3)11-6/h5H,4H2,1-3H3,(H2,10,14)
- InChI Key： BBWXHJPPGQOGEU-UHFFFAOYSA-N
- SMILES： O=C(C1N(C)N=C(CC(C)C)C=1[N+](=O)[O-])N
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 289
- Topological Polar Surface Area: 107
3-Isobutyl-1-methyl-4-nitro-1H-pyrazole-5-carboxamide Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| A2B Chem LLC | AI86534-1mg |
3-Isobutyl-1-methyl-4-nitro-1H-pyrazole-5-carboxamide |
911715-34-9 | >90% | 1mg |
$201.00 | 2024-05-20 | |
| A2B Chem LLC | AI86534-5mg |
3-Isobutyl-1-methyl-4-nitro-1H-pyrazole-5-carboxamide |
911715-34-9 | >90% | 5mg |
$214.00 | 2024-05-20 | |
| A2B Chem LLC | AI86534-10mg |
3-Isobutyl-1-methyl-4-nitro-1H-pyrazole-5-carboxamide |
911715-34-9 | >90% | 10mg |
$240.00 | 2024-05-20 | |
| A2B Chem LLC | AI86534-500mg |
3-Isobutyl-1-methyl-4-nitro-1H-pyrazole-5-carboxamide |
911715-34-9 | >90% | 500mg |
$720.00 | 2024-05-20 |
3-Isobutyl-1-methyl-4-nitro-1H-pyrazole-5-carboxamide Production Method
Production Method 1
Reaction Conditions
1.1 Reagents: Thionyl chloride ; 30 °C; 3 - 4 h, 30 °C → 80 °C
1.2 Reagents: Ammonium hydroxide Solvents: Water ; < 5 °C; 15 - 20 min, < 5 °C
1.2 Reagents: Ammonium hydroxide Solvents: Water ; < 5 °C; 15 - 20 min, < 5 °C
Reference
Production Method 2
Reaction Conditions
1.1 Reagents: Ammonium hydroxide ; 2 h, 60 °C; 3 h, 80 °C; cooled
Reference
- Syntheses and vasodilatory activities of new pyrazolo[4,3-d]pyrimidin-7-onesZhao, Yan-fang; Zhai, Xin; Chen, Jiao-yue; Guo, Shu-chun; Gong, Ping, Chemical Research in Chinese Universities, 2006, 22(4), 468-473
Production Method 3
Reaction Conditions
1.1 Reagents: Thionyl chloride ; 3 h, reflux
1.2 Reagents: Ammonium hydroxide Solvents: Acetone , Water ; 0 °C
1.2 Reagents: Ammonium hydroxide Solvents: Acetone , Water ; 0 °C
Reference
- Process for preparation of 5-(2-ethoxy-5-((4-methylpiperazin-1-yl)sulfonyl)phenyl)-3-isobutyl-1-methyl-1H-pyrazolo[4,3-d]pyrimidin-7(6H)-one (sildenafil citrate impurity)Patel, Piyush V.; Joshi, Narendra; Panchal, Dharmesh P., Heterocyclic Letters, 2012, 2(4), 467-478
3-Isobutyl-1-methyl-4-nitro-1H-pyrazole-5-carboxamide Raw materials
- 5-isobutyl-2-methyl-4-nitro-2 H-pyrazole-3-carboxylic Acid
- 1-METHYL-3-(2-METHYLPROPYL)-4-NITRO-1H-PYRAZOLE-5-CARBOXYLICACIDETHYLESTER
3-Isobutyl-1-methyl-4-nitro-1H-pyrazole-5-carboxamide Preparation Products
3-Isobutyl-1-methyl-4-nitro-1H-pyrazole-5-carboxamide Related Literature
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
-
Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
-
Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
-
Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
-
Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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