Cas no 95574-97-3 (Butanoic acid, 4-chloro-3-hydroxy-, (3R)-)
Butanoic acid, 4-chloro-3-hydroxy-, (3R)- Chemical and Physical Properties
Names and Identifiers
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- Butanoic acid, 4-chloro-3-hydroxy-, (3R)-
- (3R)-4-chloro-3-hydroxybutanoic acid
- 26329-66-8
- 95574-97-3
- 4-chloro-3-hydroxybutanoic acid
- 4-chloro-3-hydroxybutyric acid
- Butanoic acid, 4-chloro-3-hydroxy-
- SCHEMBL374298
-
- Inchi: 1S/C4H7ClO3/c5-2-3(6)1-4(7)8/h3,6H,1-2H2,(H,7,8)
- InChI Key: AKDAXGMVRMXFOO-UHFFFAOYSA-N
- SMILES: ClCC(CC(=O)O)O
Computed Properties
- Exact Mass: 138.0083718g/mol
- Monoisotopic Mass: 138.0083718g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 8
- Rotatable Bond Count: 3
- Complexity: 83.4
- 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: -0.3
- Topological Polar Surface Area: 57.5?2
Butanoic acid, 4-chloro-3-hydroxy-, (3R)- Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Biosynth | IC181421-25 mg |
4-Chloro-3-hydroxybutyric acid |
95574-97-3 | 25mg |
$1,848.00 | 2023-01-04 |
Butanoic acid, 4-chloro-3-hydroxy-, (3R)- Related Literature
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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Alena Koukalová,?árka Pokorná,Aimee L. Boyle,Nestor Lopez Mora,Alexander Kros,Martin Hof,Radek ?achl Nanoscale, 2018,10, 19064-19073
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
Additional information on Butanoic acid, 4-chloro-3-hydroxy-, (3R)-
Butanoic acid, 4-chloro-3-hydroxy-, (3R)-: Chemical Profile and Emerging Applications
Butanoic acid, 4-chloro-3-hydroxy-, (3R)-, identified by its CAS number 95574-97-3, is a specialized organic compound that has garnered significant attention in the field of pharmaceutical and biochemical research. This compound, characterized by its unique structural features, including a chiral center at the third carbon atom and the presence of both hydroxyl and chloro substituents, makes it a versatile intermediate in synthetic chemistry. The (3R)-configuration specifically denotes the stereochemical orientation of the hydroxyl group, which is crucial for its biological activity and potential therapeutic applications.
The< strong> molecular structure of Butanoic acid, 4-chloro-3-hydroxy-, (3R)- involves a butanoic acid backbone with modifications that enhance its reactivity and functionality. The chloro group at the fourth carbon position introduces electrophilic characteristics, while the hydroxyl group at the third carbon contributes to hydrogen bonding capabilities. These features collectively make the compound an attractive candidate for various chemical transformations, including esterification, reduction, and oxidation reactions. Such transformations are pivotal in drug synthesis, where precise control over molecular architecture is essential for achieving desired pharmacological effects.
In recent years, there has been a surge in research focusing on chiral compounds due to their importance in medicinal chemistry. The stereochemistry of Butanoic acid, 4-chloro-3-hydroxy-, (3R)-, plays a critical role in determining its biological interactions. Studies have shown that enantiomers of this compound can exhibit markedly different biological activities, underscoring the need for precise stereochemical control during synthesis. The (3R)-configuration has been particularly studied for its potential as a building block in the development of novel therapeutic agents.
The< strong> pharmaceutical industry has been increasingly interested in this compound due to its potential applications in the synthesis of bioactive molecules. For instance, derivatives of Butanoic acid, 4-chloro-3-hydroxy-, (3R)-, have been explored as precursors for nonsteroidal anti-inflammatory drugs (NSAIDs) and other therapeutic agents. The hydroxyl group provides a site for further functionalization, allowing chemists to tailor the compound's properties for specific biological targets. Additionally, the presence of the chloro group facilitates nucleophilic substitution reactions, which are commonly employed in drug development to introduce additional functional groups.
Recent advancements in synthetic methodologies have enabled more efficient production of Butanoic acid, 4-chloro-3-hydroxy-, (3R)-,. Techniques such as asymmetric hydrogenation and enzymatic resolution have been employed to achieve high enantiomeric purity. These methods are crucial for ensuring that the final product meets the stringent requirements of pharmaceutical applications. The ability to produce enantiomerically pure forms of this compound has opened new avenues for drug discovery and development.
Beyond its pharmaceutical applications, Butanoic acid, 4-chloro-3-hydroxy-, (3R)-, also finds utility in agrochemical research. Its structural motifs are similar to those found in natural products that exhibit bioactivity against pests and pathogens. Researchers are exploring derivatives of this compound as potential leads for new pesticides and herbicides. The combination of hydroxyl and chloro groups makes it a promising candidate for designing molecules that can interact with biological targets in plants and microorganisms.
The< strong> chemical properties of Butanoic acid, 4-chloro-3-hydroxy-, (3R)-,, such as solubility and reactivity, have been extensively studied to optimize its use in various applications. Solubility studies have revealed that this compound exhibits moderate solubility in polar organic solvents but limited solubility in water. This characteristic influences its formulation as an active ingredient in different products. Additionally, its reactivity profile has been leveraged to develop novel synthetic routes that improve yield and purity.
In conclusion, Butanoic acid, 4-chloro-3-hydroxy-, (3R)-,, with its CAS number 95574-97-3, is a multifaceted compound with significant potential in pharmaceuticals and agrochemicals. Its unique structural features and stereochemical configuration make it a valuable intermediate in synthetic chemistry. Ongoing research continues to uncover new applications for this compound, highlighting its importance in modern chemical biology and drug discovery.
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