Cas no 149806-11-1 (2-(Piperidin-1-yl)pyrimidine-5-carbaldehyde)
2-(Piperidin-1-yl)pyrimidine-5-carbaldehyde Chemical and Physical Properties
Names and Identifiers
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- 2-(Piperidin-1-yl)pyrimidine-5-carbaldehyde
- 2-Piperidin-1-yl-pyrimidine-5-carbaldehyde
- 2-piperidin-1-ylpyrimidine-5-carbaldehyde
- 2-piperidin-1-ylpyrimidine-5-carbaldehyde(SALTDATA: FREE)
- ASISCHEM C63450
- 149806-11-1
- CHEMBL4457972
- SCHEMBL1134095
- AKOS000283905
- MFCD06589847
- AB25346
- DTXSID10390287
- EN300-725631
- 5-PYRIMIDINECARBOXALDEHYDE, 2-(1-PIPERIDINYL)-
- FT-0748804
- BB 0237084
- CDYSOZHCSGJKEP-UHFFFAOYSA-N
- A18223
- 2-(piperidin-1-yl)pyrimidine-5-carbaldehyde, AldrichCPR
- 2-(1-PIPERIDINYL)-5-PYRIMIDINECARBALDEHYDE
- BS-21516
- CS-0208351
- DB-063835
- G74630
-
- MDL： MFCD06589847
- Inchi： 1S/C10H13N3O/c14-8-9-6-11-10(12-7-9)13-4-2-1-3-5-13/h6-8H,1-5H2
- InChI Key： CDYSOZHCSGJKEP-UHFFFAOYSA-N
- SMILES： O=CC1C=NC(=NC=1)N1CCCCC1
Computed Properties
- Exact Mass: 191.10600
- Monoisotopic Mass: 191.106
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 184
- 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: 46.1A^2
- XLogP3: 1
Experimental Properties
- Density: 1.197
- Melting Point: Not available
- Boiling Point: 374.548°C at 760 mmHg
- Flash Point: 180.32°C
- Refractive Index: 1.591
- PSA: 46.09000
- LogP: 1.34440
- Vapor Pressure: 0.0±0.8 mmHg at 25°C
2-(Piperidin-1-yl)pyrimidine-5-carbaldehyde Security Information
- Signal Word：warning
- Hazard Statement： H303+H313+H333
- Warning Statement： P264+P280+P305+P351+P338+P337+P313
- Hazard Category Code： 22
- Safety Instruction： H303+H313+H333
-
Hazardous Material Identification：
- HazardClass：IRRITANT
- Storage Condition：storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years)
2-(Piperidin-1-yl)pyrimidine-5-carbaldehyde Customs Data
- HS CODE：2933990090
- Customs Data：
China Customs Code:
2933990090Overview:
2933990090. Other heterocyclic compounds containing only nitrogen heteroatoms. 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:
2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
2-(Piperidin-1-yl)pyrimidine-5-carbaldehyde Pricemore >>
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|---|---|---|---|---|---|---|---|---|
| Matrix Scientific | 019371-1g |
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| Fluorochem | 041849-250mg |
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| Fluorochem | 041849-5g |
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| Apollo Scientific | OR918977-250mg |
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2-(Piperidin-1-yl)pyrimidine-5-carbaldehyde Related Literature
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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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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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
Additional information on 2-(Piperidin-1-yl)pyrimidine-5-carbaldehyde
2-(Piperidin-1-yl)pyrimidine-5-carbaldehyde: A Comprehensive Overview
2-(Piperidin-1-yl)pyrimidine-5-carbaldehyde (CAS No. 149806-11-1) is a compound of significant interest in the fields of organic chemistry and pharmacology. This molecule, characterized by its unique structure combining a pyrimidine ring with a piperidine moiety and an aldehyde group, has garnered attention due to its potential applications in drug discovery and material science. Recent studies have highlighted its role in various biological pathways, making it a focal point for researchers seeking novel therapeutic agents.
The synthesis of 2-(Piperidin-1-yl)pyrimidine-5-carbaldehyde involves a multi-step process that typically begins with the preparation of the pyrimidine core. This is followed by the introduction of the piperidine group, which is known for its ability to enhance the molecule's stability and bioavailability. The final step involves the aldehyde functionalization, which plays a crucial role in determining the compound's reactivity and selectivity. Researchers have employed various methodologies, including microwave-assisted synthesis and catalytic cross-coupling reactions, to optimize the synthesis process, ensuring high yields and purity.
Recent advancements in computational chemistry have enabled detailed studies of the molecular properties of 2-(Piperidin-1-yl)pyrimidine-5-carbaldehyde. Quantum mechanical calculations have revealed insights into its electronic structure, which is critical for understanding its interactions with biological targets. These studies have demonstrated that the compound exhibits favorable pharmacokinetic profiles, making it a promising candidate for drug delivery systems. Moreover, its ability to form stable complexes with metal ions has opened new avenues for its application in catalysis and sensor technologies.
In terms of biological activity, 2-(Piperidin-1-yl)pyrimidine-5-carbaldehyde has shown potent inhibitory effects against several enzymes implicated in diseases such as cancer and neurodegenerative disorders. For instance, preclinical studies have indicated that this compound can effectively inhibit the activity of cyclin-dependent kinases (CDKs), which are key regulators of cell cycle progression. Additionally, it has demonstrated anti-inflammatory properties by modulating nuclear factor-kappa B (NF-kB) signaling pathways, suggesting its potential as an anti-inflammatory agent.
The structural versatility of 2-(Piperidin-1-yl)pyrimidine-5-carbaldehyde allows for further functionalization to tailor its properties for specific applications. For example, researchers have explored the incorporation of electron-withdrawing groups to enhance its photostability, making it suitable for use in light-responsive materials. Furthermore, its ability to undergo click chemistry reactions has facilitated the development of bioconjugates for targeted drug delivery systems.
From an environmental perspective, the ecological impact of 2-(Piperidin-1-yl)pyrimidine-5-carbaldehyde has been a subject of recent investigations. Studies have shown that under aerobic conditions, this compound undergoes rapid biodegradation, minimizing its environmental footprint. This makes it an attractive option for green chemistry applications where sustainability is a priority.
In conclusion, 2-(Piperidin-1-yl)pyrimidine-5-carbaldehyde (CAS No. 149806-11-) stands out as a multifaceted compound with diverse applications across various scientific disciplines. Its unique chemical structure, coupled with recent advancements in synthesis and characterization techniques, positions it as a valuable tool in both academic research and industrial development. As ongoing studies continue to unravel its full potential, this compound is poised to make significant contributions to the advancement of modern science.
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