Cas no 6279-84-1 (3-(3-methoxyphenoxy)propanenitrile)
3-(3-methoxyphenoxy)propanenitrile Chemical and Physical Properties
Names and Identifiers
-
- 3-(3-methoxyphenoxy)propanenitrile
- 3-(3-methoxyphenoxy) propanonitrile
- 3-(3-Methoxy-phenoxy)-propionitril
- 3-(3'-methoxyphenoxy)propionitrile
- 3-(3-methoxy-phenoxy)-propionitrile
- 3-(m-methoxyphenoxy)propionitrile
- AC1L5CIM
- AC1Q4SF6
- AR-1E6629
- CTK5B6087
- NSC11002
- NSC408756
- SureCN9044971
- AKOS000170843
- DTXSID90279001
- MFCD00598421
- AS-61917
- 6279-84-1
- NSC-408756
- NSC-11002
- W10835
- SCHEMBL9044971
- CS-0046894
- SY123389
-
- MDL: MFCD00598421
- Inchi: 1S/C10H11NO2/c1-12-9-4-2-5-10(8-9)13-7-3-6-11/h2,4-5,8H,3,7H2,1H3
- InChI Key: FUGAVKXXJLPDPT-UHFFFAOYSA-N
- SMILES: O(CCC#N)C1C=CC=C(C=1)OC
Computed Properties
- Exact Mass: 177.07900
- Monoisotopic Mass: 177.079
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 4
- Complexity: 185
- 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
- XLogP3: 1.6
- Topological Polar Surface Area: 42.2A^2
Experimental Properties
- Density: 1.081
- Melting Point: 29.5-30.5 °C
- Boiling Point: 333.2°C at 760 mmHg
- Flash Point: 135.7°C
- Refractive Index: 1.507
- PSA: 42.25000
- LogP: 1.98768
3-(3-methoxyphenoxy)propanenitrile Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd. | M941318-100mg |
3-(3-Methoxyphenoxy)Propanenitrile |
6279-84-1 | 95% | 100mg |
¥187.20 | 2022-09-01 | |
| SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd. | M941318-250mg |
3-(3-Methoxyphenoxy)Propanenitrile |
6279-84-1 | 95% | 250mg |
¥351.00 | 2022-09-01 | |
| SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd. | M941318-1g |
3-(3-Methoxyphenoxy)Propanenitrile |
6279-84-1 | 95% | 1g |
¥702.00 | 2022-09-01 | |
| Apollo Scientific | OR962526-1g |
3-(3-Methoxyphenoxy)propanenitrile |
6279-84-1 | 95% | 1g |
£200.00 | 2023-09-02 | |
| eNovation Chemicals LLC | D766081-1g |
3-(3-methoxyphenoxy)propanenitrile |
6279-84-1 | 95% | 1g |
$185 | 2024-06-06 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1117534-1g |
3-(3-Methoxyphenoxy)propanenitrile |
6279-84-1 | 95+% | 1g |
¥2047.00 | 2024-05-06 | |
| 1PlusChem | 1P00F3UE-100mg |
3-(3-methoxyphenoxy)propanenitrile |
6279-84-1 | 95% | 100mg |
$55.00 | 2023-12-16 | |
| 1PlusChem | 1P00F3UE-250mg |
3-(3-methoxyphenoxy)propanenitrile |
6279-84-1 | 95% | 250mg |
$145.00 | 2024-04-22 | |
| 1PlusChem | 1P00F3UE-500mg |
3-(3-methoxyphenoxy)propanenitrile |
6279-84-1 | 95% | 500mg |
$110.00 | 2023-12-16 | |
| 1PlusChem | 1P00F3UE-1g |
3-(3-methoxyphenoxy)propanenitrile |
6279-84-1 | 95% | 1g |
$149.00 | 2023-12-16 |
3-(3-methoxyphenoxy)propanenitrile Related Literature
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Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
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Tong Xu,Dongwei Ma,Chengbo Li,Qian Liu,Siyu Lu,Abdullah M. Asiri,Chun Yang,Xuping Sun Chem. Commun., 2020,56, 3673-3676
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Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
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5. Agricultural
Additional information on 3-(3-methoxyphenoxy)propanenitrile
Introduction to 3-(3-methoxyphenoxy)propanenitrile (CAS No. 6279-84-1)
3-(3-methoxyphenoxy)propanenitrile, identified by its Chemical Abstracts Service (CAS) number 6279-84-1, is a significant organic compound that has garnered considerable attention in the field of pharmaceutical chemistry and chemical biology. This compound, featuring a nitrile group and an aromatic ether moiety, exhibits a unique structural framework that makes it a valuable intermediate in the synthesis of various bioactive molecules. Its molecular structure, comprising a propanenitrile backbone linked to a methoxy-substituted phenyl ring, provides a versatile platform for further functionalization, enabling the development of novel therapeutic agents.
The 3-(3-methoxyphenoxy)propanenitrile molecule has been extensively studied for its potential applications in medicinal chemistry. The presence of both the nitrile and phenoxy groups introduces multiple sites for chemical modification, allowing chemists to tailor its properties for specific biological targets. In recent years, there has been growing interest in exploring the pharmacological effects of this compound and its derivatives, particularly in the context of central nervous system (CNS) disorders and inflammatory diseases.
Recent research has highlighted the significance of 3-(3-methoxyphenoxy)propanenitrile as a key intermediate in the synthesis of small-molecule drugs. Its structural features make it an attractive candidate for designing compounds with enhanced binding affinity and selectivity towards certain enzymes and receptors. For instance, studies have demonstrated its utility in the development of potential inhibitors targeting enzymes involved in pain signaling pathways. The phenoxy group, in particular, has been shown to interact favorably with hydrophobic pockets of protein targets, while the nitrile group can serve as a hydrogen bond acceptor or participate in π-stacking interactions.
The methoxyphenoxy moiety in 3-(3-methoxyphenoxy)propanenitrile is particularly noteworthy for its role in modulating biological activity. This group has been implicated in enhancing the metabolic stability of drug candidates while maintaining their pharmacological efficacy. Furthermore, the propanenitrile segment offers opportunities for further derivatization, such as hydrolysis to form amides or carboxylic acids, which can be crucial for optimizing drug-like properties such as solubility and bioavailability.
In the realm of drug discovery, 3-(3-methoxyphenoxy)propanenitrile has been utilized as a building block for more complex scaffolds. Researchers have leveraged its structural versatility to develop novel analogs with improved pharmacokinetic profiles. For example, modifications at the nitrile position have led to compounds with enhanced blood-brain barrier penetration, making them promising candidates for treating neurodegenerative diseases. Similarly, alterations around the methoxyphenoxy group have resulted in derivatives with modified receptor interactions, offering new insights into disease mechanisms.
One area where 3-(3-methoxyphenoxy)propanenitrile has shown particular promise is in the development of anti-inflammatory agents. The compound’s ability to modulate key inflammatory pathways has been explored through both computational modeling and experimental validation. Studies indicate that derivatives of this molecule can interact with cyclooxygenase (COX) enzymes and other inflammatory mediators, potentially leading to the identification of new therapeutic strategies for conditions such as rheumatoid arthritis and inflammatory bowel disease.
The synthetic accessibility of 3-(3-methoxyphenoxy)propanenitrile further underscores its importance in pharmaceutical research. The compound can be readily synthesized through established organic reactions, including nucleophilic substitution and cyanation protocols. This ease of preparation allows researchers to efficiently explore its derivatives without significant logistical challenges, facilitating rapid progress in drug development pipelines.
From a chemical biology perspective, 3-(3-methoxyphenoxy)propanenitrile serves as an excellent tool for investigating enzyme-protein interactions. Its well-defined structure allows researchers to probe binding mechanisms at atomic resolution using techniques such as X-ray crystallography and nuclear magnetic resonance (NMR) spectroscopy. These studies not only enhance our understanding of molecular recognition but also provide critical data for rational drug design.
The growing body of literature on 3-(3-methoxyphenoxy)propanenitrile underscores its potential as a cornerstone compound in modern medicinal chemistry. As research continues to uncover new applications and mechanisms, this molecule is likely to remain at the forefront of pharmaceutical innovation. Its unique structural features offer a rich foundation for designing next-generation therapeutics with improved efficacy and safety profiles.
In conclusion, 3-(3-methoxyphenoxy)propanenitrile (CAS No. 6279-84-1) represents a fascinating compound with broad implications across multiple domains of chemical research. Its versatility as a synthetic intermediate and its potential pharmacological applications make it an indispensable tool for scientists striving to develop innovative treatments for human diseases.
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