Cas no 937377-94-1 (2-(3,5-Dimethylphenyl)-6-methylbenzoic acid)
2-(3,5-Dimethylphenyl)-6-methylbenzoic acid Chemical and Physical Properties
Names and Identifiers
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- 2-(3,5-DIMETHYLPHENYL)-6-METHYLBENZOIC ACID
- BMIDMUHVTKXWCV-UHFFFAOYSA-N
- KM3218
- 3,3',5'-Trimethyl-biphenyl-carboxylic acid
- 3,3',5'-Trimethyl[1,1'-biphenyl]-2-carboxylic acid
- 2-(3,5-Dimethylphenyl)-6-methylbenzoic acid
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- MDL: MFCD18319360
- Inchi: 1S/C16H16O2/c1-10-7-11(2)9-13(8-10)14-6-4-5-12(3)15(14)16(17)18/h4-9H,1-3H3,(H,17,18)
- InChI Key: BMIDMUHVTKXWCV-UHFFFAOYSA-N
- SMILES: OC(C1C(C)=CC=CC=1C1C=C(C)C=C(C)C=1)=O
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 18
- Rotatable Bond Count: 2
- Complexity: 290
- Topological Polar Surface Area: 37.3
2-(3,5-Dimethylphenyl)-6-methylbenzoic acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| abcr | AB326377-5 g |
2-(3,5-Dimethylphenyl)-6-methylbenzoic acid, 95%; . |
937377-94-1 | 95% | 5g |
€1159.00 | 2023-04-26 | |
| abcr | AB326377-5g |
2-(3,5-Dimethylphenyl)-6-methylbenzoic acid, 95%; . |
937377-94-1 | 95% | 5g |
€1159.00 | 2025-04-15 |
2-(3,5-Dimethylphenyl)-6-methylbenzoic acid Related Literature
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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Kathrin Kutlescha,Rhett Kempe New J. Chem., 2010,34, 1954-1960
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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Xue-Ying Wang,Ying Pei,Min Xie,Zi-He Jin,Ya-Shi Xiao,Yang Wang,Li-Na Zhang,Yan Li,Wei-Hua Huang Lab Chip, 2015,15, 1178-1187
Additional information on 2-(3,5-Dimethylphenyl)-6-methylbenzoic acid
Comprehensive Overview of 2-(3,5-Dimethylphenyl)-6-methylbenzoic acid (CAS No. 937377-94-1): Properties, Applications, and Industry Insights
2-(3,5-Dimethylphenyl)-6-methylbenzoic acid (CAS No. 937377-94-1) is a specialized organic compound gaining attention in pharmaceutical and chemical research due to its unique structural properties. This benzoic acid derivative features a methyl-substituted phenyl ring, which enhances its stability and reactivity in synthetic applications. Researchers are increasingly exploring its potential as a building block for drug discovery, particularly in designing small-molecule inhibitors and biologically active compounds.
The compound's molecular structure (C16H16O2) combines a carboxylic acid functional group with aromatic methyl groups, making it valuable for structure-activity relationship (SAR) studies. Recent publications highlight its role in optimizing lipophilicity and metabolic stability in medicinal chemistry projects. With the growing demand for targeted therapies and precision medicine, 937377-94-1 has emerged as a candidate for developing novel therapeutic agents addressing inflammation and metabolic disorders.
From a synthetic chemistry perspective, 2-(3,5-Dimethylphenyl)-6-methylbenzoic acid demonstrates remarkable versatility. Its electron-rich aromatic system facilitates palladium-catalyzed coupling reactions, while the carboxyl group enables straightforward derivatization into esters, amides, or acyl chlorides. These characteristics align with current industry trends favoring modular synthesis and late-stage functionalization strategies. Laboratories frequently employ this compound in high-throughput screening platforms to identify potential lead compounds for various disease targets.
Quality control of CAS No. 937377-94-1 requires stringent analytical verification. Advanced techniques like HPLC purity analysis, mass spectrometry, and NMR spectroscopy confirm its structural integrity. The compound typically appears as a white to off-white crystalline powder with a melting point range of 180-185°C, exhibiting good stability under standard storage conditions. These physicochemical properties make it suitable for long-term research applications and scale-up processes in pharmaceutical development.
Environmental and safety considerations for 2-(3,5-Dimethylphenyl)-6-methylbenzoic acid follow standard laboratory protocols. While not classified as hazardous, proper handling with personal protective equipment (PPE) is recommended. The compound's biodegradability profile and ecotoxicological data are subjects of ongoing research, particularly as regulatory agencies emphasize green chemistry principles in synthetic workflows. This aligns with the pharmaceutical industry's shift toward sustainable molecular design and reduced environmental impact of chemical processes.
Market analysis indicates growing demand for 937377-94-1 across North America, Europe, and Asia-Pacific research hubs. The compound's applications in cancer research, neurodegenerative disease studies, and metabolic syndrome investigations contribute to its commercial relevance. Suppliers now offer customized bulk quantities and isotope-labeled versions to support diverse research needs, reflecting the compound's expanding role in translational medicine and diagnostic development.
Future research directions for 2-(3,5-Dimethylphenyl)-6-methylbenzoic acid may explore its potential in crystal engineering and materials science applications. The compound's supramolecular interactions could enable design of functional organic materials with tailored properties. Additionally, its pharmacophore features make it a promising scaffold for developing allosteric modulators targeting G-protein-coupled receptors (GPCRs) – a hot topic in current drug discovery pipelines.
For researchers sourcing CAS No. 937377-94-1, verifying certificates of analysis (CoA) and regulatory compliance remains crucial. Reputable suppliers provide detailed technical data sheets including chromatographic purity specifications and residual solvent analysis. The compound's pricing structure typically reflects its research-grade purity (≥95% to ≥98%) and packaging formats (ranging from milligrams to kilogram quantities).
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