Cas no 84547-60-4 (1-methyl-1H-pyrazole-3-carbonyl chloride)
1-methyl-1H-pyrazole-3-carbonyl chloride Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrazole-3-carbonylchloride, 1-methyl-
- 1-METHYL-1H-PYRAZOLE-3-CARBONYL CHLORIDE
- 1-methylpyrazole-3-carbonyl chloride
- 1-Methyl-3-pyrazolecarbonyl chloride
- JCZIPPIUHKRMOM-UHFFFAOYSA-N
- AKOS000307982
- 84547-60-4
- 1H-Pyrazole-3-carbonyl chloride, 1-methyl-
- F2146-0663
- FT-0679537
- BB 0260072
- AB92308
- MFCD03419367
- SCHEMBL166439
- DTXSID40511322
- VS-14125
- SY064601
- EN300-228250
- 1-methyl-1H-pyrazole-3-carbonyl chloride
-
- MDL: MFCD03419367
- Inchi: 1S/C5H5ClN2O/c1-8-3-2-4(7-8)5(6)9/h2-3H,1H3
- InChI Key: JCZIPPIUHKRMOM-UHFFFAOYSA-N
- SMILES: ClC(C1C=CN(C)N=1)=O
Computed Properties
- Exact Mass: 144.00900
- Monoisotopic Mass: 144.0090405g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 9
- Rotatable Bond Count: 1
- Complexity: 128
- 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: 1.1
- Topological Polar Surface Area: 34.9?2
Experimental Properties
- Density: 1.37
- Boiling Point: 226.568°C at 760 mmHg
- Flash Point: 90.826°C
- Refractive Index: 1.584
- PSA: 34.89000
- LogP: 0.79910
1-methyl-1H-pyrazole-3-carbonyl chloride Customs Data
- HS CODE:2933199090
- Customs Data:
China Customs Code:
2933199090Overview:
2933199090. Other structurally non fused pyrazole ring compounds. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%
Declaration elements:
Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date
Summary:
2933199090. other compounds containing an unfused pyrazole ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
1-methyl-1H-pyrazole-3-carbonyl chloride Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A049002666-250mg |
1-Methyl-1H-pyrazole-3-carbonyl chloride |
84547-60-4 | 95% | 250mg |
$179.30 | 2023-08-31 | |
| Alichem | A049002666-1g |
1-Methyl-1H-pyrazole-3-carbonyl chloride |
84547-60-4 | 95% | 1g |
$549.08 | 2023-08-31 | |
| Alichem | A049002666-5g |
1-Methyl-1H-pyrazole-3-carbonyl chloride |
84547-60-4 | 95% | 5g |
$1268.80 | 2023-08-31 | |
| Fluorochem | 037285-250mg |
1-Methyl-1H-pyrazole-3-carbonyl chloride |
84547-60-4 | 95+% | 250mg |
£125.00 | 2022-03-01 | |
| Fluorochem | 037285-500mg |
1-Methyl-1H-pyrazole-3-carbonyl chloride |
84547-60-4 | 95+% | 500mg |
£209.00 | 2022-03-01 | |
| Fluorochem | 037285-1g |
1-Methyl-1H-pyrazole-3-carbonyl chloride |
84547-60-4 | 95+% | 1g |
£348.00 | 2022-03-01 | |
| Fluorochem | 037285-2.5g |
1-Methyl-1H-pyrazole-3-carbonyl chloride |
84547-60-4 | 95+% | 2.5g |
£696.00 | 2022-03-01 | |
| Chemenu | CM111987-1g |
1-methyl-1H-pyrazole-3-carbonyl chloride |
84547-60-4 | 95% | 1g |
$629 | 2021-08-06 | |
| abcr | AB469207-250 mg |
1-Methyl-1H-pyrazole-3-carbonyl chloride, 95%; . |
84547-60-4 | 95% | 250mg |
€189.50 | 2023-04-21 | |
| abcr | AB469207-1 g |
1-Methyl-1H-pyrazole-3-carbonyl chloride, 95%; . |
84547-60-4 | 95% | 1g |
€405.70 | 2023-04-21 |
1-methyl-1H-pyrazole-3-carbonyl chloride Suppliers
1-methyl-1H-pyrazole-3-carbonyl chloride Related Literature
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Xinyi Liu,Huan Chen,Jing Lin,Yi Li,Liangqia Guo Chem. Commun., 2019,55, 2972-2975
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Danlei Xiang Nanoscale, 2021,13, 5497-5506
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
Additional information on 1-methyl-1H-pyrazole-3-carbonyl chloride
Introduction to 1-methyl-1H-pyrazole-3-carbonyl chloride (CAS No. 84547-60-4)
1-methyl-1H-pyrazole-3-carbonyl chloride, with the chemical formula C?H?NO?Cl, is a versatile intermediate in organic synthesis and pharmaceutical chemistry. This compound is particularly significant in the development of heterocyclic derivatives, which play a crucial role in medicinal chemistry due to their diverse biological activities. The presence of both a pyrazole ring and a carbonyl chloride moiety makes it a valuable building block for constructing more complex molecules.
The CAS No. 84547-60-4 uniquely identifies this compound in scientific literature and commercial databases, ensuring precise communication among researchers and industry professionals. Its molecular structure features a methyl-substituted pyrazole core, which is known for its stability and reactivity, making it an ideal candidate for further functionalization.
In recent years, there has been growing interest in 1-methyl-1H-pyrazole-3-carbonyl chloride due to its applications in the synthesis of bioactive compounds. For instance, researchers have utilized this intermediate to develop novel inhibitors targeting various enzymes involved in metabolic pathways. The carbonyl chloride group is particularly useful for forming amide and urea bonds, which are prevalent in drug molecules.
One of the most compelling aspects of 1-methyl-1H-pyrazole-3-carbonyl chloride is its role in the synthesis of pyrazole-based drugs. Pyrazoles are a class of heterocyclic compounds that exhibit a wide range of pharmacological properties, including anti-inflammatory, antiviral, and anticancer activities. By incorporating this intermediate into drug design, scientists can explore new therapeutic avenues with potentially higher efficacy and fewer side effects.
Recent studies have highlighted the importance of 1-methyl-1H-pyrazole-3-carbonyl chloride in the development of small-molecule inhibitors for protein-protein interactions. These interactions are critical in many biological processes, and modulating them can lead to significant therapeutic benefits. The compound's ability to serve as a precursor for various derivatives makes it an indispensable tool in drug discovery pipelines.
The synthesis of 1-methyl-1H-pyrazole-3-carbonyl chloride typically involves multi-step reactions starting from readily available precursors. Advanced synthetic methodologies have been developed to improve yield and purity, ensuring that researchers have access to high-quality material for their experiments. These methods often incorporate catalytic processes that enhance efficiency while minimizing waste.
In addition to its pharmaceutical applications, 1-methyl-1H-pyrazole-3-carbonyl chloride has found utility in materials science. The pyrazole ring is known for its electronic properties, which make it suitable for use in organic semiconductors and light-emitting diodes (OLEDs). By modifying the substituents on the pyrazole core, scientists can fine-tune the electronic characteristics of these materials for specific applications.
The demand for 1-methyl-1H-pyrazole-3-carbonyl chloride continues to rise as more research is conducted into its potential uses. Pharmaceutical companies and academic institutions alike are exploring new ways to leverage this intermediate in their studies. The compound's versatility and reactivity make it a cornerstone of modern synthetic chemistry.
Future research directions may focus on developing more sustainable synthetic routes for 1-methyl-1H-pyrazole-3-carbonyl chloride, ensuring that its production is environmentally friendly and cost-effective. Additionally, exploring its applications in other fields such as agrochemicals could open up new opportunities for this compound.
In conclusion, 1-methyl-1H-pyrazole-3-carbonyl chloride (CAS No. 84547-60-4) is a highly valuable intermediate with broad applications in pharmaceuticals and materials science. Its unique structure and reactivity make it an essential tool for researchers seeking to develop innovative treatments and advanced materials. As scientific understanding continues to evolve, the importance of this compound is likely to grow even further.
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