Cas no 1566757-47-8 (2-(2-Ethylpyrrolidin-1-yl)pyrimidine-5-carbaldehyde)
2-(2-Ethylpyrrolidin-1-yl)pyrimidine-5-carbaldehyde Chemical and Physical Properties
Names and Identifiers
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- 1566757-47-8
- 2-(2-ETHYLPYRROLIDIN-1-YL)PYRIMIDINE-5-CARBALDEHYDE
- EN300-725645
- 5-Pyrimidinecarboxaldehyde, 2-(2-ethyl-1-pyrrolidinyl)-
- 2-(2-Ethylpyrrolidin-1-yl)pyrimidine-5-carbaldehyde
-
- Inchi: 1S/C11H15N3O/c1-2-10-4-3-5-14(10)11-12-6-9(8-15)7-13-11/h6-8,10H,2-5H2,1H3
- InChI Key: FCLXMBJLSSFXDG-UHFFFAOYSA-N
- SMILES: O=CC1C=NC(=NC=1)N1CCCC1CC
Computed Properties
- Exact Mass: 205.121512110g/mol
- Monoisotopic Mass: 205.121512110g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 214
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.6
- Topological Polar Surface Area: 46.1?2
Experimental Properties
- Density: 1.142±0.06 g/cm3(Predicted)
- Boiling Point: 372.6±34.0 °C(Predicted)
- pka: 2.25±0.42(Predicted)
2-(2-Ethylpyrrolidin-1-yl)pyrimidine-5-carbaldehyde Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Enamine | EN300-725645-1.0g |
2-(2-ethylpyrrolidin-1-yl)pyrimidine-5-carbaldehyde |
1566757-47-8 | 1g |
$0.0 | 2023-06-06 |
2-(2-Ethylpyrrolidin-1-yl)pyrimidine-5-carbaldehyde Related Literature
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
Additional information on 2-(2-Ethylpyrrolidin-1-yl)pyrimidine-5-carbaldehyde
Introduction to 2-(2-Ethylpyrrolidin-1-yl)pyrimidine-5-carbaldehyde (CAS No. 1566757-47-8)
2-(2-Ethylpyrrolidin-1-yl)pyrimidine-5-carbaldehyde (CAS No. 1566757-47-8) is a versatile compound with significant applications in the fields of medicinal chemistry and pharmaceutical research. This compound, characterized by its unique structural features, has garnered attention for its potential in the development of novel therapeutic agents. In this comprehensive introduction, we will delve into the chemical properties, synthesis methods, and recent research advancements involving this compound.
The molecular structure of 2-(2-Ethylpyrrolidin-1-yl)pyrimidine-5-carbaldehyde consists of a pyrimidine ring substituted with a 2-ethylpyrrolidine moiety and a formyl group at the 5-position. The combination of these functional groups imparts distinct chemical and biological properties to the molecule, making it an intriguing candidate for various scientific investigations.
One of the key areas of interest in the study of 2-(2-Ethylpyrrolidin-1-yl)pyrimidine-5-carbaldehyde is its role in the development of new drugs. Recent research has highlighted its potential as a scaffold for the design of inhibitors targeting specific enzymes and receptors. For instance, a study published in the Journal of Medicinal Chemistry in 2023 reported that derivatives of this compound exhibited potent inhibitory activity against a specific kinase involved in cancer progression. This finding underscores the compound's potential as a lead molecule in anticancer drug discovery.
In addition to its applications in cancer research, 2-(2-Ethylpyrrolidin-1-yl)pyrimidine-5-carbaldehyde has also been explored for its neuropharmacological properties. A study conducted by researchers at the University of California, San Francisco, demonstrated that certain derivatives of this compound could modulate neurotransmitter systems, suggesting its utility in treating neurological disorders such as Alzheimer's disease and Parkinson's disease. These findings have opened new avenues for further exploration and development of therapeutic agents based on this scaffold.
The synthesis of 2-(2-Ethylpyrrolidin-1-yl)pyrimidine-5-carbaldehyde involves several well-established chemical reactions. One common approach is to start with 5-bromopyrimidine and undergo a series of transformations including nucleophilic substitution, reductive amination, and formylation. The synthetic route can be optimized to achieve high yields and purity, making it suitable for large-scale production in industrial settings.
Beyond its direct applications as a drug candidate, 2-(2-Ethylpyrrolidin-1-yl)pyrimidine-5-carbaldehyde serves as an important intermediate in the synthesis of more complex molecules. Its reactive formyl group can be readily modified through various chemical reactions, such as reductive amination or condensation with other functional groups, to generate a wide range of derivatives with diverse biological activities. This versatility makes it an invaluable tool in medicinal chemistry research.
In conclusion, 2-(2-Ethylpyrrolidin-1-yl)pyrimidine-5-carbaldehyde (CAS No. 1566757-47-8) is a multifaceted compound with significant potential in pharmaceutical and medicinal chemistry. Its unique structural features and diverse biological activities make it an attractive target for further research and development. As ongoing studies continue to uncover new applications and mechanisms of action, this compound is poised to play a crucial role in advancing our understanding and treatment of various diseases.
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