Cas no 89469-49-8 (3-methoxy-4-(N-methylmethanesulfonamido)benzoic acid)
3-methoxy-4-(N-methylmethanesulfonamido)benzoic acid Chemical and Physical Properties
Names and Identifiers
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- Benzoic acid, 3-methoxy-4-[methyl(methylsulfonyl)amino]-
- 3-methoxy-4-[methyl(methylsulfonyl)amino]benzoic acid
- 3-methoxy-4-(N-methylmethanesulfonamido)benzoic acid
- EN300-1124430
- DTXSID30753936
- 89469-49-8
- 4-[(Methanesulfonyl)(methyl)amino]-3-methoxybenzoic acid
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- Inchi: 1S/C10H13NO5S/c1-11(17(3,14)15)8-5-4-7(10(12)13)6-9(8)16-2/h4-6H,1-3H3,(H,12,13)
- InChI Key: JANHMFBDJULNKG-UHFFFAOYSA-N
- SMILES: S(C)(N(C)C1C=CC(C(=O)O)=CC=1OC)(=O)=O
Computed Properties
- Exact Mass: 259.05144369g/mol
- Monoisotopic Mass: 259.05144369g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 17
- Rotatable Bond Count: 4
- Complexity: 375
- 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: 0.6
- Topological Polar Surface Area: 92.3?2
3-methoxy-4-(N-methylmethanesulfonamido)benzoic acid Pricemore >>
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|---|---|---|---|---|---|---|---|---|
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| Enamine | EN300-1124430-5.0g |
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| Enamine | EN300-1124430-10.0g |
3-methoxy-4-(N-methylmethanesulfonamido)benzoic acid |
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| Enamine | EN300-1124430-1g |
3-methoxy-4-(N-methylmethanesulfonamido)benzoic acid |
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| Enamine | EN300-1124430-5g |
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3-methoxy-4-(N-methylmethanesulfonamido)benzoic acid Related Literature
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1. 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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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
Additional information on 3-methoxy-4-(N-methylmethanesulfonamido)benzoic acid
Comprehensive Overview of 3-Methoxy-4-(N-Methylmethanesulfonamido)Benzoic Acid (CAS No. 89469-49-8)
3-Methoxy-4-(N-methylmethanesulfonamido)benzoic acid (CAS No. 89469-49-8) is a specialized organic compound widely recognized for its unique structural features and potential applications in pharmaceutical and chemical research. This compound, characterized by its methoxy and methanesulfonamido functional groups, has garnered significant attention due to its role as an intermediate in the synthesis of bioactive molecules. Researchers and industry professionals frequently search for terms like "3-methoxy-4-(N-methylmethanesulfonamido)benzoic acid uses", "CAS 89469-49-8 properties", and "synthesis of sulfonamide derivatives", reflecting the growing interest in this compound.
The molecular structure of 3-methoxy-4-(N-methylmethanesulfonamido)benzoic acid combines a benzoic acid core with a methoxy group at the 3-position and an N-methylmethanesulfonamido moiety at the 4-position. This arrangement imparts distinct physicochemical properties, such as moderate solubility in polar organic solvents and stability under standard laboratory conditions. Recent studies highlight its relevance in drug discovery, particularly in the development of enzyme inhibitors and receptor modulators. Keywords like "sulfonamide-based drug design" and "benzoic acid derivatives in medicine" align with current trends in precision medicine and targeted therapies.
From a synthetic chemistry perspective, CAS No. 89469-49-8 serves as a versatile building block. Its methanesulfonamido group enables participation in coupling reactions, while the carboxylic acid functionality allows for further derivatization. This dual reactivity makes it valuable for constructing complex molecules, as evidenced by its use in patents related to anti-inflammatory and antimicrobial agents. Searches for "how to modify sulfonamide compounds" or "applications of methoxybenzoic acids" often lead to discussions about this compound's role in modern synthetic strategies.
Environmental and safety profiles of 3-methoxy-4-(N-methylmethanesulfonamido)benzoic acid are also critical considerations. While not classified as hazardous, proper handling protocols are recommended due to its fine particulate nature. The compound's biodegradability and low ecotoxicity have been explored in green chemistry contexts, resonating with queries like "sustainable sulfonamide synthesis" and "eco-friendly benzoic acid derivatives". These aspects are increasingly important given the pharmaceutical industry's focus on reducing environmental impact.
Analytical characterization of 89469-49-8 typically involves techniques such as HPLC, NMR spectroscopy, and mass spectrometry. Researchers investigating "spectral data for sulfonamides" or "quality control of benzoic acid analogs" will find this compound's well-documented spectral signatures particularly useful for method development and compound verification. The presence of both aromatic and sulfonamide protons creates distinct NMR patterns that aid in structural confirmation.
In commercial contexts, 3-methoxy-4-(N-methylmethanesulfonamido)benzoic acid is available as a high-purity reference standard for analytical applications. Its stability under various storage conditions makes it suitable for long-term research projects. Procurement-related searches such as "where to buy CAS 89469-49-8" or "technical specifications for sulfonamide intermediates" reflect the compound's importance in supply chains for specialty chemicals.
Emerging research directions for this compound include its potential in materials science, particularly in the design of organic semiconductors and liquid crystals. The electron-withdrawing nature of the methanesulfonamido group combined with the aromatic system suggests possible applications in optoelectronic devices. This aligns with growing interest in "organic electronic materials" and "sulfonamide-based functional materials" within the scientific community.
Regulatory aspects of 3-methoxy-4-(N-methylmethanesulfonamido)benzoic acid remain favorable, with no significant restrictions reported in major chemical markets. However, researchers should always verify local regulations, especially when considering "international chemical compliance" or "export controls on specialty chemicals". The compound's status as a non-controlled substance facilitates its use across various research and industrial applications.
Future prospects for CAS No. 89469-49-8 appear promising, with potential expansions into agrochemical formulations and advanced material synthesis. Its structural features make it a candidate for developing novel plant protection agents or specialty polymers. Industry professionals monitoring "next-generation chemical intermediates" or "innovative sulfonamide applications" should consider this compound's evolving role in these sectors.
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