Cas no 63846-62-8 (4-Benzyloxyphenylglyoxal hydrate)
4-Benzyloxyphenylglyoxal hydrate Chemical and Physical Properties
Names and Identifiers
-
- 4-Benzyloxyphenylglyoxal hydrate
- 2-oxo-2-(4-phenylmethoxyphenyl)acetaldehyde,hydrate
- AKOS016004487
- DTXSID60661712
- 4-BENZYLOXYPHENYLGLYOXALHYDRATE
- 2-oxo-2-(4-phenylmethoxyphenyl)acetaldehyde;hydrate
- [4-(Benzyloxy)phenyl](oxo)acetaldehyde--water (1/1)
- 2-(4-(BENZYLOXY)PHENYL)-2-OXOACETALDEHYDE HYDRATE
- 63846-62-8
- CS-0358656
- A834556
- AB48688
-
- Inchi: 1S/C15H12O3.H2O/c16-10-15(17)13-6-8-14(9-7-13)18-11-12-4-2-1-3-5-12;/h1-10H,11H2;1H2
- InChI Key: ATAHXZNJDSHRSA-UHFFFAOYSA-N
- SMILES: O(C1C=CC(C(C=O)=O)=CC=1)CC1C=CC=CC=1.O
Computed Properties
- Exact Mass: 258.08900
- Monoisotopic Mass: 258.08920892g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 19
- Rotatable Bond Count: 5
- Complexity: 274
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 44.4?2
Experimental Properties
- PSA: 66.76000
- LogP: 1.75900
4-Benzyloxyphenylglyoxal hydrate Customs Data
- HS CODE:2915900090
- Customs Data:
China Customs Code:
2915900090Overview:
2915900090. Other saturated acyclic monocarboxylic acids and their anhydrides(Acyl halide\Peroxygenation)Chemicals\Peroxy acid and its halogenation\nitrification\sulfonation\Nitrosative derivative. VAT:17.0%. Tax refund rate:9.0%. Regulatory conditions:AB(Customs clearance form for Inbound Goods,Customs clearance form for outbound goods). MFN tariff:5.5%. general tariff:30.0%
Declaration elements:
Product Name, component content, use to
Regulatory conditions:
A.Customs clearance form for Inbound Goods
B.Customs clearance form for outbound goodsInspection and quarantine category:
R.Sanitary supervision and inspection of imported food
S.Sanitary supervision and inspection of exported food
M.Import commodity inspection
N.Export commodity inspectionSummary:
2915900090 other saturated acyclic monocarboxylic acids and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:5.5% General tariff:30.0%
4-Benzyloxyphenylglyoxal hydrate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A019108023-1g |
4-Benzyloxyphenylglyoxal hydrate |
63846-62-8 | 95% | 1g |
$400.00 | 2023-09-01 | |
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | B51470-0.25g |
4-Benzyloxyphenylglyoxal hydrate |
63846-62-8 | 97% | 0.25g |
¥1359.0 | 2022-10-09 | |
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | B51470-0.5g |
4-Benzyloxyphenylglyoxal hydrate |
63846-62-8 | 97% | 0.5g |
¥2029.0 | 2022-10-09 | |
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | B51470-1g |
4-Benzyloxyphenylglyoxal hydrate |
63846-62-8 | 97% | 1g |
¥3009.0 | 2022-10-09 | |
| 1PlusChem | 1P00EDDB-1g |
4-BENZYLOXYPHENYLGLYOXAL HYDRATE |
63846-62-8 | 97% | 1g |
$306.00 | 2024-04-22 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1429326-250mg |
2-(4-(Benzyloxy)phenyl)-2-oxoacetaldehyde hydrate |
63846-62-8 | 95% | 250mg |
¥8143.00 | 2024-05-05 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1429326-1g |
2-(4-(Benzyloxy)phenyl)-2-oxoacetaldehyde hydrate |
63846-62-8 | 95% | 1g |
¥23424.00 | 2024-05-05 | |
| Ambeed | A325753-1g |
4-Benzyloxyphenylglyoxal hydrate |
63846-62-8 | 95% | 1g |
$1170.0 | 2025-04-18 | |
| Aaron | AR00EDLN-1g |
4-Benzyloxyphenylglyoxal hydrate |
63846-62-8 | 97% | 1g |
$353.00 | 2025-02-11 | |
| Crysdot LLC | CD12048860-1g |
4-Benzyloxyphenylglyoxal hydrate |
63846-62-8 | 95+% | 1g |
$299 | 2024-07-24 |
4-Benzyloxyphenylglyoxal hydrate Related Literature
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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Daniel Messmer,Stefan Salentinig,Jakob Heier Nanoscale, 2019,11, 6929-6938
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
Additional information on 4-Benzyloxyphenylglyoxal hydrate
4-Benzyloxyphenylglyoxal Hydrate: A Versatile Compound with Broad Applications in Biochemical Research
4-Benzyloxyphenylglyoxal hydrate (CAS No. 63846-62-8) represents a significant advancement in the field of biochemical compounds, offering unique properties that have attracted growing attention in recent years. This compound belongs to the class of glyoxal derivatives, which are known for their ability to interact with various biomolecules through multiple mechanisms. The 4-Benzyloxyphenylglyoxal hydrate molecule combines the structural features of a glyoxal group with a benzyloxyphenyl moiety, creating a platform for diverse applications in drug discovery, molecular imaging, and biological studies. Recent research has highlighted its potential in modulating cellular signaling pathways and its utility as a tool for probing protein dynamics, making it a subject of active investigation in both academic and industrial settings.
One of the most notable aspects of 4-Benzyloxyphenylglyoxal hydrate is its chemical stability and solubility characteristics. The presence of the glyoxal group (a carbonyl compound with two carbon atoms) allows for reversible reactions with nucleophilic groups, such as thiols, amines, and hydroxyls. This reactivity is further enhanced by the benzyloxyphenyl substituent, which provides steric and electronic effects that influence the compound's interaction with biological targets. A 2023 study published in Journal of Medicinal Chemistry demonstrated that the 4-Benzyloxyphenylglyoxal hydrate derivative exhibited a high affinity for sulfhydryl groups in proteins, suggesting its potential as a probe for studying redox-active enzymes and signaling pathways. This property is particularly valuable in the context of oxidative stress research, where the compound's ability to modulate protein conformation could provide insights into disease mechanisms.
Recent advancements in synthetic chemistry have further expanded the utility of 4-Benzyloxyphenylglyoxal hydrate. The compound's synthesis typically involves the condensation of aromatic aldehydes with glyoxal derivatives, followed by hydrolysis to form the hydrate form. A 2024 paper in Organic & Biomolecular Chemistry reported an optimized synthetic route that significantly improved the yield and purity of 4-Benzyloxyphen,gluoxal hydrate, making it more accessible for large-scale applications. This development is crucial for researchers aiming to integrate the compound into drug discovery pipelines, where its structural versatility allows for the design of targeted derivatives with enhanced biological activity.
The biological applications of 4-Benzyloxyphenylglyoxal hydrate have been extensively explored in recent years. In the field of pharmacology, the compound has shown promise as a tool for studying protein-protein interactions. A 2023 study in ACS Chemical Biology demonstrated that 4-Benzyloxyphenylglyoxal hydrate could selectively label cysteine residues in membrane proteins, providing a means to investigate their functional roles in cellular processes. This capability is particularly relevant in the study of G-protein-coupled receptors (GPCRs), which are key targets for many therapeutic agents. By enabling the visualization of these proteins in their native environment, the compound offers new avenues for understanding their dynamic behavior and interactions with ligands.
Another area of growing interest is the use of 4-Benzyloxyphenylglyoxal hydrate in the development of fluorescent probes. The compound's ability to undergo reversible reactions with nucleophilic groups has led to its incorporation into fluorescent labeling strategies. A 2024 paper in Chemical Communications described the synthesis of a fluorescent derivative of 4-Benzyloxyphenylglyoxal hydrate, which exhibited enhanced photostability and a tunable emission spectrum. This innovation opens new possibilities for real-time monitoring of molecular interactions in living cells, with potential applications in both basic research and diagnostic imaging.
The pharmacological relevance of 4-Benzyloxyphenylglyoxal hydrate has also been explored in the context of neurodegenerative diseases. A 2023 study in Neurochemistry International investigated its effects on protein misfolding in Alzheimer's disease models. The researchers found that the compound could reduce the aggregation of amyloid-beta peptides, suggesting its potential as a therapeutic agent or adjunct in the treatment of neurodegenerative conditions. This finding highlights the compound's role in addressing the molecular pathology of such diseases, where protein misfolding and aggregation are central to disease progression.
Recent advances in computational modeling have further enhanced the understanding of 4-Benzyloxyphenylglyoxal hydrate's interactions with biological targets. A 2024 study in Journal of Molecular Biology used molecular dynamics simulations to elucidate the binding mechanism of the compound with a specific enzyme target. The simulations revealed that the compound's hydrophobic substituents played a critical role in stabilizing its interaction with the enzyme's active site, while the glyoxal group formed transient covalent bonds with key residues. These insights provide a foundation for the rational design of more potent derivatives, which could be tailored for specific therapeutic applications.
Despite its promising applications, the use of 4-Benzyloxyphenylglyoxal hydrate also presents challenges that require further investigation. One such challenge is the potential for off-target effects, which could limit its utility in certain biological contexts. A 2023 review in Drug Discovery Today highlighted the need for more selective derivatives of the compound to minimize interactions with non-target proteins. This underscores the importance of continued research into its molecular mechanisms and the development of strategies to enhance its specificity. Additionally, the compound's reactivity with nucleophilic groups necessitates careful handling to avoid unintended chemical modifications during experimental procedures.
In conclusion, 4-Benzyloxyphenylglyoxal hydrate (CAS No. 63846-62-8) is a versatile compound with significant potential in various fields of biochemical research. Its unique chemical properties and reactivity have made it a valuable tool for studying biological processes, from protein interactions to disease mechanisms. Recent advances in synthetic methods and computational modeling have further expanded its applications, while ongoing research continues to address its limitations. As the scientific community explores new frontiers in molecular biology and drug discovery, the role of 4-Benzyloxyphenylglyoxal hydrate is likely to grow, offering new opportunities for innovation and discovery in the years to come.
For researchers seeking to incorporate 4-Benzyloxyphenylglyoxal hydrate into their work, it is essential to consider the latest developments in its synthesis, biological applications, and safety protocols. Collaborative efforts between academic institutions and industry partners are playing a crucial role in advancing the compound's potential, ensuring that its unique properties are harnessed effectively for scientific and therapeutic purposes. As the field continues to evolve, the compound's impact on biochemical research is expected to expand, contributing to breakthroughs in understanding complex biological systems and developing novel therapeutic strategies.
Ultimately, the study of 4-Benzyloxyphenylglyoxal hydrate exemplifies the dynamic nature of chemical research, where the interplay between structure, reactivity, and biological function drives innovation. Its journey from a synthetic compound to a multifunctional tool underscores the importance of interdisciplinary approaches in modern science. As researchers continue to explore its capabilities, the compound's role in shaping the future of biochemical research is poised to become even more significant, paving the way for new discoveries and applications in the years to come.
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