Cas no 1048340-09-5 (4-Chloro-1-methyl-1H-pyrazole-3-carbonyl chloride)
4-Chloro-1-methyl-1H-pyrazole-3-carbonyl chloride Chemical and Physical Properties
Names and Identifiers
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- 4-CHLORO-1-METHYL-1H-PYRAZOLE-3-CARBONYL CHLORIDE
- 4-chloro-1-methylpyrazole-3-carbonyl chloride
- BBL041021
- SBB073225
- STL574605
- 4-chloro-1-methyl-pyrazole-3-carbonyl chloride
- 4-Chloro-1-methyl-1H-pyrazole-3-carbonyl chloride
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- MDL: MFCD03421433
- Inchi: 1S/C5H4Cl2N2O/c1-9-2-3(6)4(8-9)5(7)10/h2H,1H3
- InChI Key: UGGVYWVYYZYMNZ-UHFFFAOYSA-N
- SMILES: ClC1C(C(=O)Cl)=NN(C)C=1
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 153
- XLogP3: 1.7
- Topological Polar Surface Area: 34.9
4-Chloro-1-methyl-1H-pyrazole-3-carbonyl chloride Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | C184995-500mg |
4-Chloro-1-methyl-1H-pyrazole-3-carbonyl chloride |
1048340-09-5 | 500mg |
$ 680.00 | 2022-06-06 | ||
| TRC | C184995-1000mg |
4-Chloro-1-methyl-1H-pyrazole-3-carbonyl chloride |
1048340-09-5 | 1g |
$ 1135.00 | 2022-06-06 | ||
| TRC | C184995-5000mg |
4-Chloro-1-methyl-1H-pyrazole-3-carbonyl chloride |
1048340-09-5 | 5g |
$ 4535.00 | 2022-06-06 | ||
| abcr | AB498493-250 mg |
4-Chloro-1-methyl-1H-pyrazole-3-carbonyl chloride |
1048340-09-5 | 250MG |
€198.50 | 2022-03-01 | ||
| abcr | AB498493-500 mg |
4-Chloro-1-methyl-1H-pyrazole-3-carbonyl chloride; . |
1048340-09-5 | 500MG |
€384.00 | 2022-07-29 | ||
| abcr | AB498493-1 g |
4-Chloro-1-methyl-1H-pyrazole-3-carbonyl chloride; . |
1048340-09-5 | 1g |
€462.00 | 2022-07-29 | ||
| abcr | AB498493-5 g |
4-Chloro-1-methyl-1H-pyrazole-3-carbonyl chloride; . |
1048340-09-5 | 5g |
€1,242.00 | 2022-07-29 | ||
| Enamine | EN300-228552-1g |
4-chloro-1-methyl-1H-pyrazole-3-carbonyl chloride |
1048340-09-5 | 1g |
$699.0 | 2023-09-15 | ||
| Enamine | EN300-228552-5g |
4-chloro-1-methyl-1H-pyrazole-3-carbonyl chloride |
1048340-09-5 | 5g |
$2028.0 | 2023-09-15 | ||
| Enamine | EN300-228552-10g |
4-chloro-1-methyl-1H-pyrazole-3-carbonyl chloride |
1048340-09-5 | 10g |
$3007.0 | 2023-09-15 |
4-Chloro-1-methyl-1H-pyrazole-3-carbonyl chloride Related Literature
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
Additional information on 4-Chloro-1-methyl-1H-pyrazole-3-carbonyl chloride
Comprehensive Overview of 4-Chloro-1-methyl-1H-pyrazole-3-carbonyl chloride (CAS No. 1048340-09-5)
4-Chloro-1-methyl-1H-pyrazole-3-carbonyl chloride (CAS No. 1048340-09-5) is a highly specialized chemical intermediate widely utilized in pharmaceutical and agrochemical research. This compound, characterized by its pyrazole backbone and reactive carbonyl chloride group, serves as a critical building block for synthesizing advanced molecules. Its unique structure enables applications in drug discovery, particularly in the development of kinase inhibitors and antimicrobial agents, aligning with current trends in precision medicine and green chemistry.
The growing demand for heterocyclic compounds like 4-Chloro-1-methyl-1H-pyrazole-3-carbonyl chloride reflects the pharmaceutical industry's focus on targeted therapies. Researchers frequently search for "pyrazole derivatives in drug design" or "carbonyl chloride applications," highlighting its relevance. The compound's CAS No. 1048340-09-5 is often queried in databases such as SciFinder and Reaxys, underscoring its importance in high-throughput screening and combinatorial chemistry workflows.
From a synthetic perspective, 4-Chloro-1-methyl-1H-pyrazole-3-carbonyl chloride offers versatility due to its bifunctional reactivity. The chloro substituent facilitates nucleophilic substitution reactions, while the carbonyl chloride group undergoes condensation with amines or alcohols. This dual functionality makes it invaluable for constructing biologically active scaffolds, a topic trending in AI-driven molecular design platforms like AlphaFold and Schr?dinger.
Environmental and regulatory considerations are increasingly shaping the use of such intermediates. Searches for "sustainable synthesis of pyrazole derivatives" or "safe handling of acyl chlorides" indicate user concerns. While 4-Chloro-1-methyl-1H-pyrazole-3-carbonyl chloride is not classified as hazardous under major regulatory frameworks, its application aligns with green chemistry principles when used in catalytic processes or solvent-free reactions.
Analytical characterization of this compound typically involves NMR spectroscopy (notably 1H and 13C) and mass spectrometry, with purity assessments via HPLC. These techniques are frequently discussed in forums on "analytical method validation for intermediates," reflecting industry standards. The compound's stability under inert atmospheres and sensitivity to moisture are also common troubleshooting topics in process chemistry communities.
Emerging applications include its use in metal-organic frameworks (MOFs) for gas storage and in photoactive materials, areas gaining traction in materials science. Patent analyses reveal growing IP activity around pyrazole-based structures, particularly in OLED technologies and crop protection agents, addressing user queries about "pyrazole patents 2023" or "agrochemical intermediates market trends."
In conclusion, 4-Chloro-1-methyl-1H-pyrazole-3-carbonyl chloride (CAS No. 1048340-09-5) represents a nexus of innovation across multiple disciplines. Its chemical properties and adaptability position it as a key player in addressing contemporary challenges in life sciences and advanced materials, while search trends confirm its sustained relevance in both academic and industrial research.
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