Cas no 111493-84-6 (Diethyl 5-chloro-1-methyl-1H-pyrazole-3,4-dicarboxylate)
Diethyl 5-chloro-1-methyl-1H-pyrazole-3,4-dicarboxylate Chemical and Physical Properties
Names and Identifiers
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- Diethyl 5-chloro-1-methyl-1H-pyrazole-3,4-dicarboxylate
- diethyl 5-chloro-1-methylpyrazole-3,4-dicarboxylate
- Diethyl5-chloro-1-methyl-1H-pyrazole-3,4-dicarboxylate
- 111493-84-6
-
- Inchi: 1S/C10H13ClN2O4/c1-4-16-9(14)6-7(10(15)17-5-2)12-13(3)8(6)11/h4-5H2,1-3H3
- InChI Key: QGTNCQGIWMCXIT-UHFFFAOYSA-N
- SMILES: ClC1=C(C(=O)OCC)C(C(=O)OCC)=NN1C
Computed Properties
- Exact Mass: 260.0563846g/mol
- Monoisotopic Mass: 260.0563846g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 17
- Rotatable Bond Count: 6
- Complexity: 300
- 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: 2
- Topological Polar Surface Area: 70.4?2
Diethyl 5-chloro-1-methyl-1H-pyrazole-3,4-dicarboxylate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Chemenu | CM188129-1g |
diethyl 5-chloro-1-methyl-1H-pyrazole-3,4-dicarboxylate |
111493-84-6 | 95% | 1g |
$720 | 2021-08-05 | |
| Chemenu | CM188129-1g |
diethyl 5-chloro-1-methyl-1H-pyrazole-3,4-dicarboxylate |
111493-84-6 | 95% | 1g |
$695 | 2023-02-03 | |
| Alichem | A049003431-1g |
Diethyl 5-chloro-1-methyl-1H-pyrazole-3,4-dicarboxylate |
111493-84-6 | 95% | 1g |
$682.00 | 2023-09-04 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1757259-1g |
Diethyl 5-chloro-1-methyl-1h-pyrazole-3,4-dicarboxylate |
111493-84-6 | 98% | 1g |
¥5696.00 | 2024-08-09 |
Diethyl 5-chloro-1-methyl-1H-pyrazole-3,4-dicarboxylate Related Literature
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
Additional information on Diethyl 5-chloro-1-methyl-1H-pyrazole-3,4-dicarboxylate
Recent Advances in the Application of Diethyl 5-chloro-1-methyl-1H-pyrazole-3,4-dicarboxylate (CAS: 111493-84-6) in Chemical Biology and Pharmaceutical Research
Diethyl 5-chloro-1-methyl-1H-pyrazole-3,4-dicarboxylate (CAS: 111493-84-6) is a key intermediate in the synthesis of various biologically active compounds, particularly in the development of pharmaceuticals and agrochemicals. Recent studies have highlighted its versatility as a building block for heterocyclic compounds, which are crucial in drug discovery and development. This research briefing provides an overview of the latest advancements involving this compound, focusing on its synthetic applications, biological activities, and potential therapeutic uses.
One of the most significant developments in the use of Diethyl 5-chloro-1-methyl-1H-pyrazole-3,4-dicarboxylate is its role in the synthesis of pyrazole derivatives. Pyrazole-based compounds have garnered attention due to their broad spectrum of biological activities, including anti-inflammatory, antimicrobial, and anticancer properties. Recent research published in the Journal of Medicinal Chemistry (2023) demonstrated the compound's utility in constructing novel pyrazole scaffolds that exhibit potent inhibitory effects on specific kinase targets involved in cancer progression.
In addition to its pharmaceutical applications, Diethyl 5-chloro-1-methyl-1H-pyrazole-3,4-dicarboxylate has been explored in agrochemical research. A study in the European Journal of Agronomy (2023) reported its use as a precursor for developing new herbicides with improved efficacy and environmental safety profiles. The compound's unique chemical structure allows for modifications that enhance its interaction with target enzymes in weeds, offering a promising avenue for sustainable agriculture.
From a synthetic chemistry perspective, recent advancements have focused on optimizing the reaction conditions for the derivatization of Diethyl 5-chloro-1-methyl-1H-pyrazole-3,4-dicarboxylate. Researchers have developed more efficient catalytic systems, such as transition metal-catalyzed cross-coupling reactions, to achieve higher yields and selectivity. These improvements are critical for scaling up production and reducing costs in industrial applications.
Looking ahead, the potential of Diethyl 5-chloro-1-methyl-1H-pyrazole-3,4-dicarboxylate in drug discovery remains largely untapped. Ongoing studies are investigating its incorporation into more complex molecular architectures, such as macrocycles and conjugated systems, which could unlock new therapeutic modalities. Furthermore, computational modeling and structure-activity relationship (SAR) studies are being employed to predict and optimize the biological activities of its derivatives.
In conclusion, Diethyl 5-chloro-1-methyl-1H-pyrazole-3,4-dicarboxylate (CAS: 111493-84-6) continues to be a valuable compound in chemical biology and pharmaceutical research. Its versatility, coupled with recent synthetic and application advancements, positions it as a critical tool for developing next-generation therapeutics and agrochemicals. Future research should focus on expanding its utility and exploring novel derivatives with enhanced biological activities.
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