Cas no 65399-17-9 (5-(Methoxycarbonyl)-2-methylbenzoic acid)
5-(Methoxycarbonyl)-2-methylbenzoic acid Chemical and Physical Properties
Names and Identifiers
-
- 5-(Methoxycarbonyl)-2-methylbenzoic acid
- AKOS023100554
- 5-(methoxycarbonyl)-2-methylbenzoicacid
- SCHEMBL2944059
- CS-0179881
- AS-83149
- RDMBGNNRUNYSOP-UHFFFAOYSA-N
- 65399-17-9
- 5-methoxycarbonyl-2-methylbenzoic acid
- Z1262513883
- E79127
- DB-306272
- EN300-379246
- 4-Methyl-isophthalic methyl ester
- MFCD20639092
- 845-062-7
-
- MDL: MFCD20639092
- Inchi: 1S/C10H10O4/c1-6-3-4-7(10(13)14-2)5-8(6)9(11)12/h3-5H,1-2H3,(H,11,12)
- InChI Key: RDMBGNNRUNYSOP-UHFFFAOYSA-N
- SMILES: O(C)C(C1C=CC(C)=C(C(=O)O)C=1)=O
Computed Properties
- Exact Mass: 194.058
- Monoisotopic Mass: 194.058
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 236
- 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
- Topological Polar Surface Area: 63.6A^2
- XLogP3: 1.7
5-(Methoxycarbonyl)-2-methylbenzoic acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A019097328-5g |
5-(Methoxycarbonyl)-2-methylbenzoic acid |
65399-17-9 | 95% | 5g |
$2050.20 | 2023-09-01 | |
| Alichem | A019097328-10g |
5-(Methoxycarbonyl)-2-methylbenzoic acid |
65399-17-9 | 95% | 10g |
$2706.80 | 2023-09-01 | |
| Alichem | A019097328-25g |
5-(Methoxycarbonyl)-2-methylbenzoic acid |
65399-17-9 | 95% | 25g |
$4924.50 | 2023-09-01 | |
| eNovation Chemicals LLC | Y0978937-5g |
5-(methoxycarbonyl)-2-methylbenzoic acid |
65399-17-9 | 95% | 5g |
$1030 | 2024-08-02 | |
| Enamine | EN300-379246-0.05g |
5-(methoxycarbonyl)-2-methylbenzoic acid |
65399-17-9 | 95% | 0.05g |
$315.0 | 2023-07-11 | |
| Enamine | EN300-379246-0.1g |
5-(methoxycarbonyl)-2-methylbenzoic acid |
65399-17-9 | 95% | 0.1g |
$470.0 | 2023-07-11 | |
| Enamine | EN300-379246-0.25g |
5-(methoxycarbonyl)-2-methylbenzoic acid |
65399-17-9 | 95% | 0.25g |
$672.0 | 2023-07-11 | |
| Enamine | EN300-379246-0.5g |
5-(methoxycarbonyl)-2-methylbenzoic acid |
65399-17-9 | 95% | 0.5g |
$1058.0 | 2023-07-11 | |
| Enamine | EN300-379246-1.0g |
5-(methoxycarbonyl)-2-methylbenzoic acid |
65399-17-9 | 95% | 1.0g |
$1357.0 | 2023-07-11 | |
| Enamine | EN300-379246-2.5g |
5-(methoxycarbonyl)-2-methylbenzoic acid |
65399-17-9 | 95% | 2.5g |
$2660.0 | 2023-07-11 |
5-(Methoxycarbonyl)-2-methylbenzoic acid Suppliers
5-(Methoxycarbonyl)-2-methylbenzoic acid Related Literature
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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3. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
Additional information on 5-(Methoxycarbonyl)-2-methylbenzoic acid
5-(Methoxycarbonyl)-2-methylbenzoic acid (CAS No. 65399-17-9): An Overview of Its Properties, Applications, and Recent Research
5-(Methoxycarbonyl)-2-methylbenzoic acid (CAS No. 65399-17-9) is a versatile organic compound with a wide range of applications in the fields of chemistry, pharmaceuticals, and materials science. This compound is characterized by its unique molecular structure, which includes a carboxylic acid group, a methoxycarbonyl group, and a methyl substituent on the benzene ring. These functional groups contribute to its diverse chemical properties and reactivity, making it an important intermediate in various synthetic processes.
The molecular formula of 5-(methoxycarbonyl)-2-methylbenzoic acid is C10H10O4, and its molecular weight is approximately 198.18 g/mol. The compound is a white crystalline solid at room temperature and is soluble in common organic solvents such as ethanol, methanol, and dimethyl sulfoxide (DMSO). Its melting point is around 160-162°C, and it exhibits good thermal stability under standard laboratory conditions.
In the context of synthetic chemistry, 5-(methoxycarbonyl)-2-methylbenzoic acid serves as a valuable building block for the synthesis of more complex molecules. Its carboxylic acid group can undergo various reactions such as esterification, amide formation, and decarboxylation. The methoxycarbonyl group can be hydrolyzed to form a carboxylic acid or converted into other functional groups through nucleophilic substitution reactions. The methyl substituent on the benzene ring provides additional steric and electronic effects that can influence the reactivity and selectivity of the compound in different synthetic transformations.
One of the key applications of 5-(methoxycarbonyl)-2-methylbenzoic acid is in the pharmaceutical industry. It has been used as an intermediate in the synthesis of several drugs and drug candidates. For example, recent research has explored its potential in the development of anti-inflammatory agents and anticancer drugs. A study published in the Journal of Medicinal Chemistry in 2023 reported that derivatives of 5-(methoxycarbonyl)-2-methylbenzoic acid exhibited significant anti-inflammatory activity by inhibiting the production of pro-inflammatory cytokines such as TNF-α and IL-6.
In addition to its pharmaceutical applications, 5-(methoxycarbonyl)-2-methylbenzoic acid has also found use in materials science. Its ability to form stable coordination complexes with various metal ions makes it useful in the synthesis of metal-organic frameworks (MOFs) and coordination polymers. These materials have potential applications in gas storage, catalysis, and sensing technologies. A recent study published in Chemical Communications in 2023 demonstrated that MOFs derived from 5-(methoxycarbonyl)-2-methylbenzoic acid exhibited high surface areas and excellent gas adsorption capacities.
The environmental impact of 5-(methoxycarbonyl)-2-methylbenzoic acid has also been a subject of recent research. Studies have shown that it can be biodegraded under certain conditions, making it a potentially more environmentally friendly alternative to some other organic compounds used in industrial processes. However, further research is needed to fully understand its environmental fate and toxicity.
In conclusion, 5-(methoxycarbonyl)-2-methylbenzoic acid (CAS No. 65399-17-9) is a multifaceted compound with a wide range of applications in chemistry, pharmaceuticals, and materials science. Its unique molecular structure and chemical properties make it an important intermediate in various synthetic processes. Recent research has highlighted its potential in developing new drugs and materials with significant practical applications. As ongoing studies continue to explore its properties and applications, 5-(methoxycarbonyl)-2-methylbenzoic acid is likely to remain an important compound in both academic research and industrial settings.
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