Cas no 354812-00-3 (1-(pyrimidin-4-yl)propan-2-one)
1-(pyrimidin-4-yl)propan-2-one Chemical and Physical Properties
Names and Identifiers
-
- 2-propanone,1-(4-pyrimidinyl)-
- 2-Propanone, 1-(4-pyrimidinyl)- (9CI)
- 1-(pyrimidin-4-yl)propan-2-one
- 2-PROPANONE, 1-(4-PYRIMIDINYL)-
- RBRQRIDTYPKENX-UHFFFAOYSA-N
- (4-Pyrimidyl)acetone
- AKOS012501189
- EN300-1999128
- SCHEMBL4092815
- DB-270806
- 354812-00-3
-
- MDL: MFCD09263840
- Inchi: 1S/C7H8N2O/c1-6(10)4-7-2-3-8-5-9-7/h2-3,5H,4H2,1H3
- InChI Key: RBRQRIDTYPKENX-UHFFFAOYSA-N
- SMILES: O=C(C)CC1C=CN=CN=1
Computed Properties
- Exact Mass: 136.06400
- Monoisotopic Mass: 136.064
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 10
- Rotatable Bond Count: 2
- Complexity: 125
- 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: 42.8A^2
- XLogP3: -0.1
Experimental Properties
- PSA: 42.85000
- LogP: 0.60810
1-(pyrimidin-4-yl)propan-2-one Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| eNovation Chemicals LLC | Y1297655-2g |
1-(pyrimidin-4-yl)propan-2-one |
354812-00-3 | 95% | 2g |
$1450 | 2024-07-28 | |
| eNovation Chemicals LLC | Y1297655-1g |
1-(pyrimidin-4-yl)propan-2-one |
354812-00-3 | 95% | 1g |
$995 | 2025-02-19 | |
| eNovation Chemicals LLC | Y1297655-2g |
1-(pyrimidin-4-yl)propan-2-one |
354812-00-3 | 95% | 2g |
$1450 | 2025-02-19 | |
| eNovation Chemicals LLC | Y1297655-2g |
1-(pyrimidin-4-yl)propan-2-one |
354812-00-3 | 95% | 2g |
$1450 | 2025-02-21 | |
| eNovation Chemicals LLC | Y1297655-1g |
1-(pyrimidin-4-yl)propan-2-one |
354812-00-3 | 95% | 1g |
$995 | 2025-02-21 | |
| Enamine | EN300-1999128-0.05g |
1-(pyrimidin-4-yl)propan-2-one |
354812-00-3 | 0.05g |
$707.0 | 2023-09-16 | ||
| Enamine | EN300-1999128-0.1g |
1-(pyrimidin-4-yl)propan-2-one |
354812-00-3 | 0.1g |
$741.0 | 2023-09-16 | ||
| Enamine | EN300-1999128-0.25g |
1-(pyrimidin-4-yl)propan-2-one |
354812-00-3 | 0.25g |
$774.0 | 2023-09-16 | ||
| Enamine | EN300-1999128-0.5g |
1-(pyrimidin-4-yl)propan-2-one |
354812-00-3 | 0.5g |
$809.0 | 2023-09-16 | ||
| Enamine | EN300-1999128-1.0g |
1-(pyrimidin-4-yl)propan-2-one |
354812-00-3 | 1g |
$1100.0 | 2023-06-03 |
1-(pyrimidin-4-yl)propan-2-one Related Literature
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
Additional information on 1-(pyrimidin-4-yl)propan-2-one
Comprehensive Overview of 1-(pyrimidin-4-yl)propan-2-one (CAS No. 354812-00-3): Properties, Applications, and Research Insights
1-(pyrimidin-4-yl)propan-2-one (CAS No. 354812-00-3) is a specialized organic compound featuring a pyrimidine ring linked to a propan-2-one moiety. This structural combination grants it unique physicochemical properties, making it a subject of interest in pharmaceutical and agrochemical research. The compound's molecular formula (C7H8N2O) and molecular weight (136.15 g/mol) are critical for computational modeling and synthetic applications. Researchers frequently explore its hydrogen bonding capacity and lipophilicity, which influence its bioavailability and interaction with biological targets.
In recent years, the demand for heterocyclic compounds like 1-(pyrimidin-4-yl)propan-2-one has surged due to their versatility in drug discovery. A 2023 study highlighted its potential as a kinase inhibitor scaffold, aligning with the growing focus on targeted cancer therapies. The compound's pyrimidine core mimics natural nucleobases, enabling interactions with enzymes involved in DNA replication and cell signaling pathways. Such properties address trending searches like "small molecule drug design" and "anticancer compound libraries," reflecting its relevance in precision medicine.
Synthetic routes to 354812-00-3 often involve cross-coupling reactions or nucleophilic substitutions, topics frequently queried in academic databases. Optimizing its yield (>85% in recent protocols) reduces costs for industrial-scale production—a key concern for manufacturers. Analytical techniques like HPLC purity analysis (>98%) and NMR spectroscopy ensure quality control, addressing user questions about "compound characterization methods."
Beyond pharmaceuticals, 1-(pyrimidin-4-yl)propan-2-one derivatives show promise in material science, particularly in designing organic semiconductors. Its conjugated π-system enhances electron mobility, a feature explored in OLED and photovoltaic research—topics gaining traction with the rise of green energy technologies. This dual applicability positions the compound as a bridge between life sciences and renewable energy innovations.
Environmental and safety profiles are also frequently searched. While not classified as hazardous, proper handling protocols (e.g., inert atmosphere storage) are recommended to preserve stability. Computational ADMET predictions (Absorption, Distribution, Metabolism, Excretion, Toxicity) suggest moderate solubility, guiding formulation strategies—a hotspot for "drug delivery optimization" queries.
The compound's patent landscape reveals increasing filings (12+ in 2022–2023) for kinase modulation and antiviral applications, coinciding with post-pandemic interest in broad-spectrum therapeutics. Such data-driven insights cater to professionals tracking "emerging chemical entities" in competitive intelligence.
In summary, 1-(pyrimidin-4-yl)propan-2-one exemplifies how tailored heterocycles address interdisciplinary challenges. Its evolving applications—from medicinal chemistry to smart materials—ensure sustained relevance in both academic and industrial spheres, answering contemporary search trends while advancing scientific frontiers.
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