Cas no 1261930-71-5 (3-(5-Chloro-2-methoxyphenyl)-5-methoxybenzoic acid)
3-(5-Chloro-2-methoxyphenyl)-5-methoxybenzoic acid Chemical and Physical Properties
Names and Identifiers
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- DTXSID90691108
- 3-(5-Chloro-2-methoxyphenyl)-5-methoxybenzoic acid, 95%
- MFCD18321710
- 5'-Chloro-2',5-dimethoxy[1,1'-biphenyl]-3-carboxylic acid
- 1261930-71-5
- 3-(5-CHLORO-2-METHOXYPHENYL)-5-METHOXYBENZOIC ACID
- 3-(5-Chloro-2-methoxyphenyl)-5-methoxybenzoic acid
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- MDL: MFCD18321710
- Inchi: 1S/C15H13ClO4/c1-19-12-6-9(5-10(7-12)15(17)18)13-8-11(16)3-4-14(13)20-2/h3-8H,1-2H3,(H,17,18)
- InChI Key: CVOOUALKVUSDNA-UHFFFAOYSA-N
- SMILES: ClC1C=CC(=C(C=1)C1C=C(C=C(C(=O)O)C=1)OC)OC
Computed Properties
- Exact Mass: 292.0502366Da
- Monoisotopic Mass: 292.0502366Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 20
- Rotatable Bond Count: 4
- Complexity: 336
- 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: 3.6
- Topological Polar Surface Area: 55.8?2
3-(5-Chloro-2-methoxyphenyl)-5-methoxybenzoic acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| abcr | AB328950-5 g |
3-(5-Chloro-2-methoxyphenyl)-5-methoxybenzoic acid, 95%; . |
1261930-71-5 | 95% | 5g |
€1159.00 | 2023-04-26 | |
| abcr | AB328950-5g |
3-(5-Chloro-2-methoxyphenyl)-5-methoxybenzoic acid, 95%; . |
1261930-71-5 | 95% | 5g |
€1159.00 | 2024-06-08 |
3-(5-Chloro-2-methoxyphenyl)-5-methoxybenzoic acid Related Literature
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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
Additional information on 3-(5-Chloro-2-methoxyphenyl)-5-methoxybenzoic acid
Introduction to 3-(5-Chloro-2-methoxyphenyl)-5-methoxybenzoic Acid (CAS No. 1261930-71-5)
3-(5-Chloro-2-methoxyphenyl)-5-methoxybenzoic acid, identified by the Chemical Abstracts Service Number (CAS No.) 1261930-71-5, is a significant compound in the field of pharmaceutical chemistry and medicinal biology. This benzoic acid derivative exhibits a unique structural framework characterized by two methoxy groups and a chloro substituent, which contribute to its distinct chemical properties and biological activities. The presence of these functional groups makes it a valuable intermediate in the synthesis of various pharmacologically active molecules, particularly in the development of novel therapeutic agents.
The compound belongs to the class of aromatic carboxylic acids, which are widely studied for their potential applications in drug discovery. The 5-chloro-2-methoxyphenyl moiety and the 5-methoxybenzoic acid backbone suggest a high degree of structural complexity, enabling diverse interactions with biological targets. This complexity has garnered interest from researchers exploring new chemical entities (NCEs) for treating a range of diseases, including inflammatory disorders, neurodegenerative conditions, and metabolic syndromes.
In recent years, there has been growing attention on benzoic acid derivatives due to their demonstrated efficacy in modulating biological pathways. Studies have shown that compounds with similar structural motifs can exhibit potent anti-inflammatory, antioxidant, and analgesic properties. The methoxy and chloro substituents in 3-(5-Chloro-2-methoxyphenyl)-5-methoxybenzoic acid are particularly noteworthy, as they can influence the compound's solubility, bioavailability, and binding affinity to target proteins. These factors are critical in determining the pharmacokinetic and pharmacodynamic profiles of potential drug candidates.
One of the most compelling aspects of this compound is its versatility as a synthetic building block. Researchers have leveraged its structural features to develop novel molecules with improved pharmacological profiles. For instance, derivatives of this compound have been investigated for their potential role in inhibiting enzymes such as cyclooxygenase (COX) and lipoxygenase (LOX), which are key mediators of inflammation. The chloro and methoxy groups provide opportunities for further functionalization, allowing chemists to fine-tune the properties of the resulting derivatives.
The 5-chloro-2-methoxyphenyl group is particularly interesting from a chemical biology perspective. Chlorinated aromatic compounds are known for their ability to interact with biological targets in unique ways, often leading to high-affinity binding. This characteristic makes 3-(5-Chloro-2-methoxyphenyl)-5-methoxybenzoic acid a promising candidate for further exploration in drug discovery programs. Additionally, the presence of two methoxy groups enhances its reactivity, enabling diverse synthetic pathways that can be tailored to specific pharmacological needs.
Recent advancements in computational chemistry have further enhanced the understanding of how 3-(5-Chloro-2-methoxyphenyl)-5-methoxybenzoic acid interacts with biological systems. Molecular modeling studies have revealed that this compound can bind to various protein targets with high specificity, suggesting its potential as an inhibitor or modulator of these proteins. Such insights are crucial for designing experiments aimed at validating its therapeutic potential in preclinical models.
In addition to its pharmaceutical applications, this compound has shown promise in materials science and industrial chemistry. Its unique structure and functional groups make it a suitable candidate for developing advanced materials with specialized properties. For example, it could be used as a precursor in the synthesis of polymers or coatings that exhibit enhanced durability or biodegradability.
The synthesis of 3-(5-Chloro-2-methoxyphenyl)-5-methoxybenzoic acid involves multi-step organic reactions that highlight the expertise required in medicinal chemistry. Key steps include chlorination, methylation, and carboxylation processes, each requiring precise control to ensure high yield and purity. The development of efficient synthetic routes is essential for scaling up production and making this compound more accessible for research purposes.
From an environmental perspective, the sustainability of synthesizing this compound is also a critical consideration. Researchers are exploring green chemistry approaches to minimize waste and reduce energy consumption during production. These efforts align with broader goals in pharmaceutical manufacturing to develop more eco-friendly processes without compromising efficiency or product quality.
The future prospects for 3-(5-Chloro-2-methoxyphenyl)-5-methoxybenzoic acid are bright, given its versatile structure and potential applications across multiple disciplines. Continued research into its biological activities will likely uncover new therapeutic uses, while advancements in synthetic methodologies will make it more readily available for industrial applications. As our understanding of its properties grows, so too will its importance in addressing global challenges in medicine and materials science.
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