Cas no 139664-31-6 (1H-Pyrazole-1-methanol, 3,5-dimethyl-4-nitro-)
1H-Pyrazole-1-methanol, 3,5-dimethyl-4-nitro- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrazole-1-methanol, 3,5-dimethyl-4-nitro-
- STK312661
- AKOS015922146
- (3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methanol
- (3,5-dimethyl-4-nitropyrazol-1-yl)methanol
- MFCD01016815
- 139664-31-6
- AKOS000311389
- DB-016377
- SCHEMBL8657291
- (3,5-Dimethyl-4-nitro-pyrazol-1-yl)-methanol
-
- MDL: MFCD01016815
- Inchi: 1S/C6H9N3O3/c1-4-6(9(11)12)5(2)8(3-10)7-4/h10H,3H2,1-2H3
- InChI Key: FNQSANZKSFZCNK-UHFFFAOYSA-N
- SMILES: OCN1C(C)=C(C(C)=N1)[N+](=O)[O-]
Computed Properties
- Exact Mass: 171.06447
- Monoisotopic Mass: 171.06439116g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 181
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.2
- Topological Polar Surface Area: 83.9?2
Experimental Properties
- PSA: 81.19
1H-Pyrazole-1-methanol, 3,5-dimethyl-4-nitro- Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Chemenu | CM502092-1g |
(3,5-Dimethyl-4-nitro-1H-pyrazol-1-yl)methanol |
139664-31-6 | 97% | 1g |
$675 | 2022-06-13 |
1H-Pyrazole-1-methanol, 3,5-dimethyl-4-nitro- Related Literature
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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Andre Prates Pereira,Tao Dong,Eric P. Knoshaug,Nick Nagle,Ryan Spiller,Bonnie Panczak,Christopher J. Chuck,Philip T. Pienkos Sustainable Energy Fuels, 2020,4, 3400-3408
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
Additional information on 1H-Pyrazole-1-methanol, 3,5-dimethyl-4-nitro-
Comprehensive Guide to 1H-Pyrazole-1-methanol, 3,5-dimethyl-4-nitro- (CAS No. 139664-31-6): Properties, Applications, and Market Insights
1H-Pyrazole-1-methanol, 3,5-dimethyl-4-nitro- (CAS No. 139664-31-6) is a specialized organic compound belonging to the pyrazole family. This nitro-substituted derivative has garnered significant attention in pharmaceutical and agrochemical research due to its unique structural features. The compound's molecular formula is C6H9N3O3, with a molecular weight of 171.16 g/mol. Its 3,5-dimethyl-4-nitro substitution pattern creates distinct electronic properties that make it valuable for various synthetic applications.
The growing interest in pyrazole derivatives stems from their wide-ranging biological activities. Researchers frequently search for "nitro pyrazole applications" or "3,5-dimethyl pyrazole synthesis," reflecting the compound's importance in medicinal chemistry. Recent studies highlight its potential as a building block for drug discovery, particularly in developing kinase inhibitors and anti-inflammatory agents. The 1H-Pyrazole-1-methanol moiety serves as a versatile intermediate that can be further functionalized for targeted biological activity.
From a chemical perspective, 1H-Pyrazole-1-methanol, 3,5-dimethyl-4-nitro- exhibits interesting physical properties. The compound typically appears as a crystalline solid with moderate solubility in polar organic solvents. Its stability under various conditions makes it suitable for multi-step synthetic processes. Analytical techniques like HPLC and NMR are commonly employed to characterize this compound, with many researchers searching for "CAS 139664-31-6 characterization data" or "pyrazole methanol NMR spectrum" to support their work.
The synthetic utility of 3,5-dimethyl-4-nitro-1H-pyrazole-1-methanol extends to material science applications. Its electron-withdrawing nitro group and hydrogen-bonding capability make it valuable for designing advanced materials. Current trends show increased searches for "functional pyrazole derivatives" and "nitro heterocycles for materials," indicating growing industrial interest. The compound's thermal stability and molecular geometry contribute to its potential in creating novel polymers and coordination complexes.
In the pharmaceutical sector, 1H-Pyrazole-1-methanol derivatives are investigated for their diverse biological activities. The 3,5-dimethyl-4-nitro substitution pattern is particularly interesting for structure-activity relationship studies. Recent patent literature reveals applications in developing analgesic and antipyretic agents, aligning with popular search queries like "pyrazole-based drug candidates 2024." The compound's metabolic stability and bioavailability profile make it a promising scaffold for lead optimization.
The global market for specialty pyrazole compounds shows steady growth, with CAS 139664-31-6 being increasingly demanded by research institutions and chemical manufacturers. Market analysis reveals rising searches for "pyrazole building block suppliers" and "custom synthesis of nitro heterocycles." The compound's versatility supports its use across multiple industries, from life sciences to advanced material development, driving innovation in various technological fields.
Quality control aspects of 1H-Pyrazole-1-methanol, 3,5-dimethyl-4-nitro- are crucial for research applications. Analytical methods development for this compound remains an active area, as evidenced by frequent searches for "HPLC method for pyrazole analysis." The compound's purity specifications typically exceed 97%, with stringent controls on residual solvents and byproducts. These quality parameters ensure reliable performance in sensitive applications like medicinal chemistry and material science.
Environmental and safety considerations for 3,5-dimethyl-4-nitro-1H-pyrazole-1-methanol follow standard laboratory chemical handling protocols. While not classified as hazardous under normal conditions, proper storage in cool, dry environments is recommended. The scientific community shows growing interest in "green chemistry approaches for pyrazole synthesis," reflecting broader trends toward sustainable chemical production methods for such specialized intermediates.
Future research directions for 1H-Pyrazole-1-methanol derivatives include exploring their photophysical properties and catalytic applications. The compound's unique electronic structure makes it potentially valuable in organic electronics and energy storage systems. Emerging search trends like "nitro pyrazoles in energy applications" suggest expanding interest beyond traditional pharmaceutical uses, opening new avenues for innovation and commercial development of this versatile chemical building block.
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