Cas no 1261921-29-2 (2-(3,4-Difluorophenyl)-6-methylbenzoic acid)
2-(3,4-Difluorophenyl)-6-methylbenzoic acid Chemical and Physical Properties
Names and Identifiers
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- 1261921-29-2
- 2-(3,4-Difluorophenyl)-6-methylbenzoic acid, 95%
- DTXSID30689605
- 3',4'-Difluoro-3-methyl[1,1'-biphenyl]-2-carboxylic acid
- 2-(3,4-DIFLUOROPHENYL)-6-METHYLBENZOIC ACID
- MFCD18319959
- 2-(3,4-Difluorophenyl)-6-methylbenzoic acid
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- MDL: MFCD18319959
- Inchi: 1S/C14H10F2O2/c1-8-3-2-4-10(13(8)14(17)18)9-5-6-11(15)12(16)7-9/h2-7H,1H3,(H,17,18)
- InChI Key: MCLUUOCWKUETOI-UHFFFAOYSA-N
- SMILES: FC1=C(C=CC(=C1)C1C=CC=C(C)C=1C(=O)O)F
Computed Properties
- Exact Mass: 248.06488588Da
- Monoisotopic Mass: 248.06488588Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 18
- Rotatable Bond Count: 2
- Complexity: 308
- 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: 37.3?2
2-(3,4-Difluorophenyl)-6-methylbenzoic acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| abcr | AB327082-5 g |
2-(3,4-Difluorophenyl)-6-methylbenzoic acid, 95%; . |
1261921-29-2 | 95% | 5g |
€1159.00 | 2023-04-26 | |
| abcr | AB327082-5g |
2-(3,4-Difluorophenyl)-6-methylbenzoic acid, 95%; . |
1261921-29-2 | 95% | 5g |
€1159.00 | 2025-04-21 |
2-(3,4-Difluorophenyl)-6-methylbenzoic acid Related Literature
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
Additional information on 2-(3,4-Difluorophenyl)-6-methylbenzoic acid
Introduction to 2-(3,4-Difluorophenyl)-6-methylbenzoic acid (CAS No. 1261921-29-2)
2-(3,4-Difluorophenyl)-6-methylbenzoic acid, identified by the Chemical Abstracts Service Number (CAS No.) 1261921-29-2, is a specialized organic compound that has garnered significant attention in the field of pharmaceutical and chemical research. This compound belongs to the class of benzoic acid derivatives, characterized by its unique structural features that include a 3,4-difluorophenyl moiety and a methyl substituent at the sixth position of the benzene ring. The presence of fluorine atoms in the aromatic ring introduces distinct electronic and steric properties, making this compound a valuable scaffold for the development of novel chemical entities.
The 3,4-difluorophenyl group is particularly noteworthy due to its ability to modulate the reactivity and binding affinity of the molecule. Fluorine atoms are known to enhance metabolic stability and binding interactions with biological targets, which has been a cornerstone in medicinal chemistry for decades. The methyl group at the sixth position further influences the electronic distribution of the molecule, potentially affecting its solubility, bioavailability, and overall pharmacokinetic profile. These structural attributes make 2-(3,4-Difluorophenyl)-6-methylbenzoic acid a promising candidate for further exploration in drug discovery and material science applications.
In recent years, there has been a surge in research focused on fluorinated benzoic acid derivatives due to their diverse biological activities. Studies have demonstrated that compounds incorporating fluorine atoms often exhibit enhanced potency and selectivity when interacting with biological targets such as enzymes and receptors. For instance, fluorinated aromatic compounds have been extensively studied for their potential in treating inflammatory diseases, infectious diseases, and even certain types of cancer. The specific arrangement of fluorine atoms in 2-(3,4-Difluorophenyl)-6-methylbenzoic acid may contribute to its unique pharmacological properties, making it a compelling subject for further investigation.
One of the most exciting aspects of working with 2-(3,4-Difluorophenyl)-6-methylbenzoic acid is its versatility as a building block in synthetic chemistry. The combination of the 3,4-difluorophenyl group and the methyl substituent provides multiple sites for functionalization, allowing chemists to tailor the molecule's properties for specific applications. This flexibility has led to several innovative synthetic strategies being developed to incorporate this compound into more complex molecular architectures. Researchers have leveraged its structural features to design molecules with improved pharmacological profiles, including enhanced binding affinity and reduced toxicity.
The pharmaceutical industry has been particularly keen on exploring fluorinated benzoic acid derivatives due to their potential therapeutic benefits. Several preclinical studies have highlighted the promising activity of compounds similar to 2-(3,4-Difluorophenyl)-6-methylbenzoic acid in models of inflammation and pain management. The ability of fluorine atoms to influence molecular interactions has been shown to enhance drug efficacy by improving binding stability and metabolic resistance. Additionally, the methyl group can contribute to favorable pharmacokinetic properties, such as increased oral bioavailability and prolonged half-life.
From a chemical synthesis perspective, 2-(3,4-Difluorophenyl)-6-methylbenzoic acid presents an intriguing challenge due to its fluorinated aromatic core. Advanced synthetic methodologies have been employed to construct this molecule efficiently while maintaining high purity standards. Techniques such as cross-coupling reactions, palladium-catalyzed transformations, and fluorochemical synthesis play crucial roles in achieving this goal. The development of novel synthetic routes not only facilitates access to this compound but also contributes to the broader field of organic chemistry by advancing our understanding of fluorinated aromatic systems.
The potential applications of 2-(3,4-Difluorophenyl)-6-methylbenzoic acid extend beyond pharmaceuticals into other areas such as agrochemicals and specialty materials. Fluorinated compounds are known for their stability under various environmental conditions, making them suitable for use in crop protection agents and advanced polymers. The unique electronic properties imparted by the 3,4-difluorophenyl group could be exploited to develop new materials with tailored optical or electronic characteristics. This interdisciplinary approach underscores the importance of studying compounds like 2-(3,4-Difluorophenyl)-6-methylbenzoic acid, which bridge multiple scientific domains.
In conclusion,2-(3,4-Difluorophenyl)-6-methylbenzoic acid (CAS No. 1261921-29-2) represents a fascinating compound with significant potential in both academic research and industrial applications. Its structural features—particularly the presence of fluoro substituents—make it an attractive candidate for drug discovery efforts aimed at developing novel therapeutics with improved efficacy and selectivity. Furthermore,the versatility it offers as a synthetic intermediate positions it as a valuable tool for chemists exploring new molecular architectures across various disciplines。 As research continues,the full scope of applications for this compound is expected to expand,further solidifying its importance in modern chemical science。
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