Cas no 885278-90-0 (4-Thiazolecarboxaldehyde,2-(3-methyl-4-nitrophenyl)-)
4-Thiazolecarboxaldehyde,2-(3-methyl-4-nitrophenyl)- Chemical and Physical Properties
Names and Identifiers
-
- 4-Thiazolecarboxaldehyde,2-(3-methyl-4-nitrophenyl)-
- 2-(3-methyl-4-nitrophenyl)-1,3-thiazole-4-carbaldehyde
- 2-(3-Methyl-4-nitro-phenyl)-thiazole-4-carbaldehyde
- 2-(3-METHYL-4-NITROPHENYL)THIAZOLE-4-CARBALDEHYDE,
- DTXSID20695896
- FT-0767799
- 2-(3-methyl-4-nitrophenyl)thiazole-4-carbaldehyde
- 885278-90-0
- AB27031
- A861914
- C11H8N2O3S
-
- Inchi: 1S/C11H8N2O3S/c1-7-4-8(2-3-10(7)13(15)16)11-12-9(5-14)6-17-11/h2-6H,1H3
- InChI Key: SYCKURTXMKRUTR-UHFFFAOYSA-N
- SMILES: S1C=C(C=O)N=C1C1=CC=C(C(C)=C1)[N+](=O)[O-]
Computed Properties
- Exact Mass: 248.02600
- Monoisotopic Mass: 248.026
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 3
- Complexity: 308
- 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
- Topological Polar Surface Area: 104A^2
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 2.6
Experimental Properties
- PSA: 104.02000
- LogP: 3.36240
4-Thiazolecarboxaldehyde,2-(3-methyl-4-nitrophenyl)- Customs Data
- HS CODE:2934100090
- Customs Data:
China Customs Code:
2934100090Overview:
2934100090. Compounds that structurally contain a non fused thiazole ring(Whether hydrogenated or not). VAT:17.0%. Tax refund rate:9.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%
Declaration elements:
Product Name, component content, use to
Summary:
2934100090 other compounds containing an unfused thiazole ring (whether or not hydrogenated) in the structure VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:20.0%
4-Thiazolecarboxaldehyde,2-(3-methyl-4-nitrophenyl)- Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Chemenu | CM190411-1g |
2-(3-Methyl-4-nitro-phenyl)-thiazole-4-carbaldehyde |
885278-90-0 | 95% | 1g |
$805 | 2021-08-05 | |
| Chemenu | CM190411-1g |
2-(3-Methyl-4-nitro-phenyl)-thiazole-4-carbaldehyde |
885278-90-0 | 95% | 1g |
$665 | 2023-01-07 | |
| Alichem | A059004268-1g |
2-(3-Methyl-4-nitrophenyl)thiazole-4-carbaldehyde |
885278-90-0 | 95% | 1g |
$741.51 | 2023-08-31 | |
| Ambeed | A656888-1g |
2-(3-Methyl-4-nitrophenyl)thiazole-4-carbaldehyde |
885278-90-0 | 95+% | 1g |
$672.0 | 2025-04-15 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1747487-1g |
2-(3-Methyl-4-nitrophenyl)thiazole-4-carbaldehyde |
885278-90-0 | 98% | 1g |
¥4704.00 | 2024-04-27 |
4-Thiazolecarboxaldehyde,2-(3-methyl-4-nitrophenyl)- Related Literature
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
Additional information on 4-Thiazolecarboxaldehyde,2-(3-methyl-4-nitrophenyl)-
Introduction to 4-Thiazolecarboxaldehyde,2-(3-methyl-4-nitrophenyl) and Its Significance in Modern Chemical Research
The compound with the CAS number 885278-90-0, identified as 4-Thiazolecarboxaldehyde,2-(3-methyl-4-nitrophenyl), represents a fascinating intersection of heterocyclic chemistry and pharmaceutical innovation. Thiazole derivatives have long been recognized for their diverse biological activities, making them invaluable in the development of therapeutic agents. The specific structure of this compound, featuring a thiazole core conjugated with a nitro-substituted aromatic ring, positions it as a promising candidate for further exploration in medicinal chemistry.
Thiazole derivatives are known for their broad spectrum of biological effects, including antimicrobial, anti-inflammatory, and anticancer properties. The presence of the aldehyde functional group in 4-Thiazolecarboxaldehyde,2-(3-methyl-4-nitrophenyl) enhances its reactivity, allowing for further functionalization and the synthesis of more complex molecules. This reactivity is particularly useful in the development of novel drug candidates, where precise molecular modifications can significantly alter biological activity.
In recent years, there has been a growing interest in the development of small-molecule inhibitors targeting specific enzymatic pathways involved in disease progression. The nitro group in the aromatic ring of this compound introduces a potential site for electronic modulation, which can influence its interactions with biological targets. This feature makes it an attractive scaffold for designing molecules with enhanced binding affinity and selectivity.
One of the most compelling aspects of 4-Thiazolecarboxaldehyde,2-(3-methyl-4-nitrophenyl) is its potential application in the synthesis of kinase inhibitors. Kinases are enzymes that play a crucial role in cell signaling pathways and are frequently dysregulated in various diseases, particularly cancer. By leveraging the structural features of this compound, researchers have been able to develop derivatives that exhibit potent inhibitory activity against specific kinases. These findings highlight the importance of thiazole-based scaffolds in the discovery of new anticancer agents.
Moreover, the aldehyde group provides a versatile handle for further chemical transformations. For instance, it can be used to form Schiff bases or other imine-containing compounds, which have shown promise in various therapeutic applications. The combination of these structural features makes 4-Thiazolecarboxaldehyde,2-(3-methyl-4-nitrophenyl) a versatile building block for medicinal chemists.
Recent studies have also explored the pharmacokinetic properties of thiazole derivatives. Understanding how these compounds are absorbed, distributed, metabolized, and excreted (ADME) is crucial for their successful translation to clinical use. Preliminary data suggest that derivatives of this compound exhibit favorable pharmacokinetic profiles, which could enhance their therapeutic potential.
The synthesis of 4-Thiazolecarboxaldehyde,2-(3-methyl-4-nitrophenyl) involves multi-step organic reactions that showcase the ingenuity of synthetic chemists. The process typically begins with the condensation of appropriate precursors to form the thiazole ring followed by functionalization at the 2-position with a nitro-substituted benzene derivative. Advanced synthetic techniques such as palladium-catalyzed cross-coupling reactions have been employed to achieve high yields and purity.
The role of computational chemistry in the design and optimization of thiazole-based compounds cannot be overstated. Molecular modeling techniques allow researchers to predict how these molecules will interact with biological targets at the atomic level. This information is invaluable for guiding synthetic efforts and improving drug-like properties.
In conclusion,4-Thiazolecarboxaldehyde, with its CAS number 885278-90-0, represents a significant advancement in chemical research with potential applications across multiple therapeutic areas. Its unique structural features make it an excellent candidate for further exploration in drug discovery and development. As our understanding of biological pathways continues to grow,thiazole-based compounds like this one will undoubtedly play an increasingly important role in modern medicine.
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