Cas no 99791-27-2 (4-ethoxy-2-methoxy-5-methylaniline)
4-ethoxy-2-methoxy-5-methylaniline Chemical and Physical Properties
Names and Identifiers
-
- Benzenamine, 4-ethoxy-2-methoxy-5-methyl-
- 4-ethoxy-2-methoxy-5-methylaniline
- DB-094848
- 99791-27-2
- NQAPPEDMIIWBAC-UHFFFAOYSA-N
- EN300-1295171
- SCHEMBL6370244
-
- Inchi: 1S/C10H15NO2/c1-4-13-9-6-10(12-3)8(11)5-7(9)2/h5-6H,4,11H2,1-3H3
- InChI Key: NQAPPEDMIIWBAC-UHFFFAOYSA-N
- SMILES: O(CC)C1C=C(C(=CC=1C)N)OC
Computed Properties
- Exact Mass: 181.110278721Da
- Monoisotopic Mass: 181.110278721Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 152
- 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: 1.9
- Topological Polar Surface Area: 44.5?2
4-ethoxy-2-methoxy-5-methylaniline Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Enamine | EN300-1295171-50mg |
4-ethoxy-2-methoxy-5-methylaniline |
99791-27-2 | 50mg |
$647.0 | 2023-09-30 | ||
| Enamine | EN300-1295171-100mg |
4-ethoxy-2-methoxy-5-methylaniline |
99791-27-2 | 100mg |
$678.0 | 2023-09-30 | ||
| Enamine | EN300-1295171-250mg |
4-ethoxy-2-methoxy-5-methylaniline |
99791-27-2 | 250mg |
$708.0 | 2023-09-30 | ||
| Enamine | EN300-1295171-500mg |
4-ethoxy-2-methoxy-5-methylaniline |
99791-27-2 | 500mg |
$739.0 | 2023-09-30 | ||
| Enamine | EN300-1295171-1000mg |
4-ethoxy-2-methoxy-5-methylaniline |
99791-27-2 | 1000mg |
$770.0 | 2023-09-30 | ||
| Enamine | EN300-1295171-2500mg |
4-ethoxy-2-methoxy-5-methylaniline |
99791-27-2 | 2500mg |
$1509.0 | 2023-09-30 | ||
| Enamine | EN300-1295171-5000mg |
4-ethoxy-2-methoxy-5-methylaniline |
99791-27-2 | 5000mg |
$2235.0 | 2023-09-30 | ||
| Enamine | EN300-1295171-10000mg |
4-ethoxy-2-methoxy-5-methylaniline |
99791-27-2 | 10000mg |
$3315.0 | 2023-09-30 | ||
| Enamine | EN300-1295171-1.0g |
4-ethoxy-2-methoxy-5-methylaniline |
99791-27-2 | 1g |
$0.0 | 2023-06-06 |
4-ethoxy-2-methoxy-5-methylaniline Related Literature
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
Additional information on 4-ethoxy-2-methoxy-5-methylaniline
Chemical Profile of 4-ethoxy-2-methoxy-5-methylaniline (CAS No. 99791-27-2)
4-ethoxy-2-methoxy-5-methylaniline, identified by its Chemical Abstracts Service (CAS) number 99791-27-2, is a specialized organic compound that has garnered attention in the field of pharmaceutical chemistry and medicinal research. This aromatic amine derivative exhibits a unique structural configuration, featuring ethoxy, methoxy, and methyl substituents strategically positioned on a benzene ring. Such structural motifs are often explored for their potential biological activity and interaction with biological targets.
The compound’s chemical formula can be represented as C9H13NO2, reflecting its composition of carbon, hydrogen, nitrogen, and oxygen atoms. The presence of multiple functional groups makes 4-ethoxy-2-methoxy-5-methylaniline a versatile scaffold for further chemical modifications and derivatization, which is a common practice in drug discovery pipelines. The electron-donating nature of the ethoxy and methoxy groups, combined with the electron-withdrawing effect of the amino group, influences its electronic properties and reactivity, making it a candidate for various synthetic applications.
In recent years, the interest in aromatic amines as pharmacophores has intensified due to their broad spectrum of biological activities. Studies have demonstrated that structurally related compounds can exhibit properties such as kinase inhibition, anti-inflammatory effects, and antimicrobial activity. The specific arrangement of substituents in 4-ethoxy-2-methoxy-5-methylaniline may contribute to its potential interaction with certain enzymes or receptors, although detailed mechanistic studies are still required to elucidate its mode of action.
One of the most compelling aspects of 4-ethoxy-2-methoxy-5-methylaniline is its potential as a building block for more complex molecules. Researchers have utilized similar aromatic amine derivatives in the synthesis of novel therapeutic agents targeting various diseases. For instance, modifications to the amino group or the methoxy/ethoxy substituents can lead to compounds with enhanced solubility, bioavailability, or metabolic stability. This flexibility underscores the importance of compounds like 4-ethoxy-2-methoxy-5-methylaniline in medicinal chemistry libraries.
The synthesis of 4-ethoxy-2-methoxy-5-methylaniline typically involves multi-step organic reactions, often starting from commercially available precursors such as aniline derivatives. Techniques such as nucleophilic aromatic substitution, reduction reactions, and protecting group strategies are commonly employed to achieve the desired regioselectivity and functionalization. The efficiency and scalability of these synthetic routes are critical factors that determine the compound’s suitability for large-scale production or industrial applications.
From an academic perspective, 4-ethoxy-2-methoxy-5-methylaniline serves as an excellent model system for studying electronic effects and steric interactions in aromatic systems. Computational chemistry methods, including density functional theory (DFT) calculations, have been increasingly used to predict the properties and reactivity of such compounds. These theoretical approaches not only complement experimental data but also provide insights into how structural changes influence biological activity.
The pharmacological potential of 4-ethoxy-2-methoxy-5-methylaniline has not been exhaustively explored yet; however, preliminary in vitro assays suggest that it may exhibit promising effects in certain therapeutic areas. For example, derivatives with similar structural features have shown inhibitory activity against enzymes implicated in cancer pathways or inflammatory responses. While these findings are encouraging, further preclinical studies are necessary to validate these observations and assess potential side effects or toxicities.
The role of chirality in pharmaceuticals cannot be overstated, and 4-ethoxy-2-methoxy-5-methylaniline is no exception. The presence of chiral centers can significantly impact a compound’s biological activity and pharmacokinetic properties. Therefore, investigations into enantioselective synthesis or resolution methods may open new avenues for developing more effective derivatives with improved therapeutic profiles.
In conclusion,4-Ethoxo - 2-Me thox y - 5 - Me thanil ine (CAS No . 99791 - 27 - 2 ) represents a fascinating subject of study within organic chemistry and medicinal research . Its unique structural features , synthetic versatility , an d poten tial biological activities make it a valuable compoun d fo r furthe r exploration . As resear ch contin ues to advance , it is likely that new applications an d insights will emerge , further highlighting its significance in the field .
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