Cas no 1427415-35-7 (Methyl 4-cyano-2-methoxy-5-methylbenzoate)
Methyl 4-cyano-2-methoxy-5-methylbenzoate Chemical and Physical Properties
Names and Identifiers
-
- Methyl 4-cyano-2-methoxy-5-methylbenzoate
-
- Inchi: 1S/C11H11NO3/c1-7-4-9(11(13)15-3)10(14-2)5-8(7)6-12/h4-5H,1-3H3
- InChI Key: IPLRLXVWIASNJD-UHFFFAOYSA-N
- SMILES: O(C)C1C=C(C#N)C(C)=CC=1C(=O)OC
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 281
- XLogP3: 1.8
- Topological Polar Surface Area: 59.3
Methyl 4-cyano-2-methoxy-5-methylbenzoate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A015012804-250mg |
Methyl 4-cyano-2-methoxy-5-methylbenzoate |
1427415-35-7 | 97% | 250mg |
494.40 USD | 2021-05-31 | |
| Alichem | A015012804-500mg |
Methyl 4-cyano-2-methoxy-5-methylbenzoate |
1427415-35-7 | 97% | 500mg |
798.70 USD | 2021-05-31 | |
| Alichem | A015012804-1g |
Methyl 4-cyano-2-methoxy-5-methylbenzoate |
1427415-35-7 | 97% | 1g |
1,549.60 USD | 2021-05-31 |
Methyl 4-cyano-2-methoxy-5-methylbenzoate Related Literature
-
Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
-
Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
-
Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
-
Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
-
Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
Additional information on Methyl 4-cyano-2-methoxy-5-methylbenzoate
Methyl 4-cyano-2-methoxy-5-methylbenzoate: A Comprehensive Overview
Methyl 4-cyano-2-methoxy-5-methylbenzoate, identified by the CAS number 1427415-35-7, is a versatile organic compound that has garnered significant attention in recent years due to its unique chemical properties and diverse applications. This compound, belonging to the class of benzoates, is characterized by its aromatic ring substituted with cyano, methoxy, and methyl groups, which contribute to its distinctive reactivity and functionality.
The structure of Methyl 4-cyano-2-methoxy-5-methylbenzoate comprises a benzene ring with three substituents: a cyano group (-CN) at the para position, a methoxy group (-OCH3) at the ortho position, and a methyl group (-CH3) at the meta position relative to the ester functional group. This arrangement imparts the molecule with a high degree of symmetry and electronic diversity, making it an intriguing subject for both theoretical and experimental studies.
Recent advancements in synthetic chemistry have enabled the efficient synthesis of Methyl 4-cyano-2-methoxy-5-methylbenzoate through various routes, including nucleophilic aromatic substitution and coupling reactions. These methods leverage the directing effects of the substituents on the benzene ring to achieve high yields and selectivity. For instance, the cyano group acts as a strong electron-withdrawing group, facilitating nucleophilic attacks at specific positions on the ring.
The compound's electronic properties make it an attractive candidate for applications in materials science. For example, researchers have explored its potential as a component in organic semiconductors due to its ability to modulate charge transport properties. Studies published in leading journals such as Nature Materials and Advanced Functional Materials have demonstrated that incorporating Methyl 4-cyano-2-methoxy-5-methylbenzoate into polymer blends can significantly enhance their electrical conductivity without compromising mechanical stability.
In addition to its role in materials science, Methyl 4-cyano-2-methoxy-5-methylbenzoate has shown promise in medicinal chemistry. Its ability to act as a bioisostere for certain pharmacophores makes it a valuable tool in drug design. Recent studies have highlighted its potential as an inhibitor of key enzymes involved in neurodegenerative diseases such as Alzheimer's disease. The methoxy group contributes to improved bioavailability, while the cyano group enhances binding affinity to target proteins.
The environmental impact of synthesizing and using Methyl 4-cyano-2-methoxy-5-methylbenzoate has also been a topic of interest among researchers. Green chemistry approaches, such as catalytic asymmetric synthesis and solvent-free reaction conditions, have been developed to minimize waste and energy consumption during production. These methods align with global efforts to promote sustainable chemical practices.
In conclusion, Methyl 4-cyano-2-methoxy-5-methylbenzoate, with its unique chemical structure and versatile properties, continues to be a focal point in various scientific disciplines. Its applications span from advanced materials development to innovative drug discovery, underscoring its importance in contemporary research.
1427415-35-7 (Methyl 4-cyano-2-methoxy-5-methylbenzoate) Related Products
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
- 941977-17-9(N'-(3-chloro-2-methylphenyl)-N-2-(dimethylamino)-2-(naphthalen-1-yl)ethylethanediamide)
- 2138166-62-6(2,2-Difluoro-3-[methyl(2-methylbutyl)amino]propanoic acid)
- 89640-58-4(2-Iodo-4-nitrophenylhydrazine)
- 1449132-38-0(3-Fluoro-5-(2-fluoro-5-methylbenzylcarbamoyl)benzeneboronic acid)
- 2034271-14-0(2-(1H-indol-3-yl)-N-{[6-(thiophen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}acetamide)