Cas no 179057-31-9 (4-(1,3-oxazol-5-yl)benzaldehyde)
4-(1,3-oxazol-5-yl)benzaldehyde Chemical and Physical Properties
Names and Identifiers
-
- Benzaldehyde,4-(5-oxazolyl)-
- 4-(1,3-OXAZOL-4-YL)BENZALDEHYDE
- 4-(OXAZOL-5-YL) BENZALDEHYDE
- 4-oxazol-5-yl-benzaldehyde
- 4-(1,3-oxazol-5-yl)benzaldehyde
- MFCD08669909
- AKOS006290506
- 179057-31-9
- SCHEMBL1124055
- DTXSID801311652
- SY033925
- EN300-1087130
- Benzaldehyde, 4-(5-oxazolyl)-
- P16400
- AS-53381
- Z1198180713
- 4-(oxazol-5-yl)benzaldehyde
- GDXLZBAOBKGCEK-UHFFFAOYSA-N
- 4-(5-oxazolyl)benzaldehyde
- CS-0374182
-
- MDL: MFCD09998717
- Inchi: 1S/C10H7NO2/c12-6-8-1-3-9(4-2-8)10-5-11-7-13-10/h1-7H
- InChI Key: GDXLZBAOBKGCEK-UHFFFAOYSA-N
- SMILES: O1C=NC=C1C1C=CC(C=O)=CC=1
Computed Properties
- Exact Mass: 173.04800
- Monoisotopic Mass: 173.047678466g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 176
- 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: 1.5
- Topological Polar Surface Area: 43.1?2
Experimental Properties
- PSA: 43.10000
- LogP: 2.15410
4-(1,3-oxazol-5-yl)benzaldehyde Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Chemenu | CM295005-1g |
4-(Oxazol-5-yl)benzaldehyde |
179057-31-9 | 95% | 1g |
$439 | 2021-08-18 | |
| abcr | AB243450-500 mg |
4-(5-Oxazolyl)benzaldehyde; . |
179057-31-9 | 500mg |
€850.90 | 2023-04-27 | ||
| Chemenu | CM295005-1g |
4-(Oxazol-5-yl)benzaldehyde |
179057-31-9 | 95% | 1g |
$*** | 2023-03-30 | |
| eNovation Chemicals LLC | D697404-1g |
4-(5-Oxazolyl)benzaldehyde |
179057-31-9 | 95% | 1g |
$605 | 2024-07-20 | |
| NAN JING YAO SHI KE JI GU FEN Co., Ltd. | PBTQ3841-100MG |
4-(1,3-oxazol-5-yl)benzaldehyde |
179057-31-9 | 95% | 100MG |
¥ 884.00 | 2023-04-14 | |
| NAN JING YAO SHI KE JI GU FEN Co., Ltd. | PBTQ3841-250MG |
4-(1,3-oxazol-5-yl)benzaldehyde |
179057-31-9 | 95% | 250MG |
¥ 1,412.00 | 2023-04-14 | |
| NAN JING YAO SHI KE JI GU FEN Co., Ltd. | PBTQ3841-500MG |
4-(1,3-oxazol-5-yl)benzaldehyde |
179057-31-9 | 95% | 500MG |
¥ 2,349.00 | 2023-04-14 | |
| NAN JING YAO SHI KE JI GU FEN Co., Ltd. | PBTQ3841-1G |
4-(1,3-oxazol-5-yl)benzaldehyde |
179057-31-9 | 95% | 1g |
¥ 3,517.00 | 2023-04-14 | |
| NAN JING YAO SHI KE JI GU FEN Co., Ltd. | PBTQ3841-5G |
4-(1,3-oxazol-5-yl)benzaldehyde |
179057-31-9 | 95% | 5g |
¥ 10,553.00 | 2023-04-14 | |
| NAN JING YAO SHI KE JI GU FEN Co., Ltd. | PBTQ3841-10G |
4-(1,3-oxazol-5-yl)benzaldehyde |
179057-31-9 | 95% | 10g |
¥ 17,589.00 | 2023-04-14 |
4-(1,3-oxazol-5-yl)benzaldehyde Related Literature
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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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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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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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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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
Additional information on 4-(1,3-oxazol-5-yl)benzaldehyde
Introduction to 4-(1,3-oxazol-5-yl)benzaldehyde (CAS No. 179057-31-9) and Its Emerging Applications in Chemical Biology
4-(1,3-oxazol-5-yl)benzaldehyde, identified by the chemical compound code CAS No. 179057-31-9, is a versatile organic molecule that has garnered significant attention in the field of chemical biology due to its unique structural properties and potential biological activities. This compound belongs to the benzaldehyde derivatives family, characterized by the presence of a benzene ring linked to an aldehyde group. The incorporation of a 1,3-oxazole moiety into the benzaldehyde backbone introduces additional functional groups that enhance its reactivity and biological relevance, making it a valuable scaffold for drug discovery and material science applications.
The 1,3-oxazole ring is a five-membered heterocyclic structure containing two oxygen atoms and one nitrogen atom. This heterocycle is known for its stability and ability to participate in various chemical reactions, including nucleophilic substitution and metal coordination. In 4-(1,3-oxazol-5-yl)benzaldehyde, the oxazole ring is attached to the para position of the benzaldehyde group, creating a conjugated system that can influence electronic properties and interactions with biological targets. Such structural features make this compound an attractive candidate for designing novel bioactive molecules.
Recent research has highlighted the potential of 4-(1,3-oxazol-5-yl)benzaldehyde in medicinal chemistry, particularly in the development of small-molecule inhibitors and probes for therapeutic applications. The aldehyde functionality in benzaldehyde derivatives is well-known for its ability to undergo condensation reactions with various nucleophiles, such as amines and hydrazines, forming Schiff bases or hydrazones. These derivatives have been extensively studied for their antimicrobial, anti-inflammatory, and anticancer properties. The presence of the 1,3-oxazole moiety further expands the compound’s pharmacological profile by introducing additional binding pockets or interaction sites that can be exploited for targeted drug design.
In particular, studies have demonstrated that 4-(1,3-oxazol-5-yl)benzaldehyde can serve as a precursor for synthesizing more complex molecules with enhanced biological activity. For instance, researchers have explored its use in generating oxazole-based Schiff bases that exhibit inhibitory effects on enzymes involved in cancer progression. These derivatives have shown promise in preclinical studies as potential candidates for further development into therapeutic agents. The oxazole ring’s ability to form hydrogen bonds with biological targets also makes it a valuable component in designing molecules with improved binding affinity and selectivity.
The compound’s utility extends beyond pharmaceutical applications. In material science, 4-(1,3-oxazol-5-yl)benzaldehyde has been investigated for its potential use in organic electronics and polymer chemistry. Its aromatic structure and functional groups make it suitable for synthesizing conductive polymers or organic semiconductors. These materials are increasingly relevant in the development of flexible electronics, solar cells, and light-emitting diodes (LEDs). The oxazole ring’s stability under various conditions also enhances the durability of these materials, making them viable for industrial applications.
Moreover, recent advances in computational chemistry have enabled more efficient virtual screening and design of molecules like 4-(1,3-oxazol-5-yl)benzaldehyde. By leveraging machine learning algorithms and molecular docking simulations, researchers can predict the biological activity of this compound and optimize its structure for better performance. Such computational approaches have accelerated the discovery process in drug development pipelines and reduced experimental costs significantly.
The synthesis of 4-(1,3-oxazol-5-yl)benzaldehyde typically involves multi-step organic reactions starting from commercially available precursors such as 2-hydroxybenzaldehyde or 2-formylphenol. The introduction of the 1,3-oxazole ring can be achieved through cyclization reactions using appropriate reagents under controlled conditions. For example, condensation of 2-hydroxybenzaldehyde with hydrazine hydrate followed by cyclization with sodium ethoxide can yield 2-hydroxy-substituted oxazole derivatives. Subsequent functionalization at the para position with benzaldehyde groups completes the synthesis of 4-(1,3-oxazol-5-yl)benzaldehyde.
The compound’s solubility profile is another important consideration for its application in biological assays or material formulations. While pure 4-(1,3-oxazol-5-yl)benzaldehyde may have limited solubility in water due to its hydrophobic nature, it can be dissolved in organic solvents such as dimethyl sulfoxide (DMSO), methanol, or acetonitrile for experimental purposes. Researchers often use solubilization techniques or co-solvents to enhance its bioavailability when testing its biological activity.
In conclusion,4-(1,3-o xazol -5 - yl ) ben zal de hyde (CAS No . 179057 -31 -9 ) is a multifunctional compound with broad applicability across chemical biology , pharmaceuticals , and materials science . Its unique structural features , including the benzaldehyde moiety and the 1 , 3 - ox azole ring , make it a valuable scaffold for designing bioactive molecules . Recent research highlights its potential as an inhibitor , probe , or precursor for advanced materials . As computational methods continue to evolve , so too will our ability to harness this compound’s full potential . Future studies may explore novel synthetic routes , derivatization strategies , and industrial applications , further solidifying its role as a cornerstone in modern chemical research . p >
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