Cas no 4542-32-9 (N-[4-(aminosulphonyl)phenyl]-3-oxobutyramide)
N-[4-(aminosulphonyl)phenyl]-3-oxobutyramide Chemical and Physical Properties
Names and Identifiers
-
- N-[4-(aminosulphonyl)phenyl]-3-oxobutyramide
- 3-Oxo-N-(4-sulfamoylphenyl)butanamide
- N-(4-(Aminosulphonyl)phenyl)-3-oxobutyramide
- AKOS005773766
- Butanamide, N-[4-(aminosulfonyl)phenyl]-3-oxo-
- CHEMBL4568951
- EINECS 224-892-8
- SCHEMBL7130773
- DTXSID10196509
- NS00031526
- ACETOACET-P-SULFANILAMIDE
- N-(4-(AMINOSULFONYL)PHENYL)-3-OXOBUTYRAMIDE
- BDBM50527085
- FDZMNCCKUUOJEX-UHFFFAOYSA-N
- N-[4-(Aminosulfonyl)phenyl]-3-oxobutanamide
- 6EM8D59PE8
- 3-Oxo-N-(4-sulfamoyl-phenyl)-butyramide
- 4542-32-9
-
- Inchi: 1S/C10H12N2O4S/c1-7(13)6-10(14)12-8-2-4-9(5-3-8)17(11,15)16/h2-5H,6H2,1H3,(H,12,14)(H2,11,15,16)
- InChI Key: FDZMNCCKUUOJEX-UHFFFAOYSA-N
- SMILES: S(C1C=CC(=CC=1)NC(CC(C)=O)=O)(N)(=O)=O
Computed Properties
- Exact Mass: 256.05186
- Monoisotopic Mass: 256.05177804g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 17
- Rotatable Bond Count: 4
- Complexity: 391
- 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
- Surface Charge: 0
- Tautomer Count: 8
- XLogP3: nothing
- Topological Polar Surface Area: 115?2
Experimental Properties
- PSA: 106.33
N-[4-(aminosulphonyl)phenyl]-3-oxobutyramide Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Crysdot LLC | CD12070806-1g |
3-Oxo-N-(4-sulfamoylphenyl)butanamide |
4542-32-9 | 95+% | 1g |
$411 | 2024-07-24 | |
| Crysdot LLC | CD12070806-5g |
3-Oxo-N-(4-sulfamoylphenyl)butanamide |
4542-32-9 | 95+% | 5g |
$1017 | 2024-07-24 | |
| Crysdot LLC | CD12070806-10g |
3-Oxo-N-(4-sulfamoylphenyl)butanamide |
4542-32-9 | 95+% | 10g |
$1439 | 2024-07-24 |
N-[4-(aminosulphonyl)phenyl]-3-oxobutyramide Related Literature
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Xingqun Zheng,Lele Song,Xin Feng,Li Li,Zidong Wei J. Mater. Chem. A, 2020,8, 14145-14151
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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4. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
Additional information on N-[4-(aminosulphonyl)phenyl]-3-oxobutyramide
N-[4-(Aminosulphonyl)phenyl]-3-oxobutyramide (CAS No. 4542-32-9): A Comprehensive Overview
N-[4-(aminosulphonyl)phenyl]-3-oxobutyramide (CAS No. 4542-32-9) is a specialized organic compound with significant applications in pharmaceutical and chemical research. This compound, also known by its systematic name, belongs to the class of sulfonamide derivatives, which are widely studied for their diverse biological activities. The presence of both aminosulphonyl and 3-oxobutyramide functional groups in its structure makes it a versatile intermediate in synthetic chemistry.
The N-[4-(aminosulphonyl)phenyl]-3-oxobutyramide structure features a phenyl ring substituted with an aminosulfonyl group at the para position, coupled with a 3-oxobutyramide moiety. This unique combination of functional groups contributes to its reactivity and potential utility in drug discovery. Researchers have explored its role as a building block for more complex molecules, particularly in the development of enzyme inhibitors and pharmacologically active compounds.
In recent years, the demand for specialty chemicals like N-[4-(aminosulphonyl)phenyl]-3-oxobutyramide has grown significantly, driven by advancements in pharmaceutical research and the need for novel drug candidates. The compound's molecular weight of 256.28 g/mol and its specific physicochemical properties make it suitable for various synthetic applications. Its solubility characteristics, typically in polar organic solvents, have been particularly valuable in medicinal chemistry workflows.
The synthesis of CAS 4542-32-9 typically involves multi-step organic reactions, starting from readily available precursors. Modern synthetic approaches emphasize green chemistry principles, aiming to improve yield while minimizing environmental impact. This aligns with current industry trends toward sustainable chemical production, a topic of significant interest in both academic and industrial research communities.
Analytical characterization of N-[4-(aminosulphonyl)phenyl]-3-oxobutyramide employs standard techniques including NMR spectroscopy, mass spectrometry, and HPLC. These methods ensure purity and confirm structural integrity, which are critical for research applications. The compound typically appears as a white to off-white crystalline powder under standard conditions, with defined melting point characteristics that aid in identification and quality control.
From a pharmacological perspective, the sulfonamide group in 4542-32-9 has drawn attention due to its prevalence in bioactive molecules. Many FDA-approved drugs contain this functional group, known for its ability to interact with biological targets. While N-[4-(aminosulphonyl)phenyl]-3-oxobutyramide itself may not be a final drug product, it serves as a valuable scaffold for structure-activity relationship studies in drug discovery programs.
The global market for pharmaceutical intermediates like CAS 4542-32-9 continues to expand, with increasing demand from contract research organizations and academic institutions. Current market analysis suggests growing interest in such specialized building blocks, particularly for cancer research and metabolic disorder studies. This trend reflects broader movements in personalized medicine and targeted therapy development.
Storage and handling of N-[4-(aminosulphonyl)phenyl]-3-oxobutyramide require standard laboratory precautions. The compound should be kept in tightly sealed containers, protected from moisture and light, at controlled room temperature. These storage conditions maintain stability and prolong shelf life, ensuring consistent performance in research applications.
Recent scientific literature highlights several innovative applications of 4542-32-9 derivatives. Some studies focus on their potential as kinase inhibitors, while others explore their use in fluorescent probes for biological imaging. These diverse applications demonstrate the compound's versatility and the continuing relevance of sulfonamide chemistry in modern research.
Quality specifications for N-[4-(aminosulphonyl)phenyl]-3-oxobutyramide typically include purity assessments by HPLC (≥98%), residual solvent analysis, and confirmation of structural identity. Reputable suppliers provide comprehensive certificates of analysis, meeting the stringent requirements of pharmaceutical research and development.
From a regulatory standpoint, CAS 4542-32-9 is not currently classified as hazardous under major chemical inventory systems. However, researchers should always consult material safety data sheets and follow institutional guidelines when working with any laboratory chemicals. Proper personal protective equipment and standard laboratory practices ensure safe handling.
The future outlook for N-[4-(aminosulphonyl)phenyl]-3-oxobutyramide appears promising, with ongoing research exploring novel synthetic methodologies and applications. As drug discovery paradigms evolve toward more targeted approaches, the demand for specialized intermediates like this compound is expected to grow. Its structural features position it well for continued use in medicinal chemistry and related fields.
For researchers seeking high-purity CAS 4542-32-9, several reputable chemical suppliers offer this compound with varying packaging options, from milligram quantities for initial screening to kilogram scales for process development. Comparative evaluation of suppliers based on quality, documentation, and technical support is recommended when sourcing this material.
In conclusion, N-[4-(aminosulphonyl)phenyl]-3-oxobutyramide represents an important building block in modern chemical research. Its unique structural features, combined with the versatility of sulfonamide chemistry, make it a valuable tool for pharmaceutical development and other specialized applications. As research continues to uncover new potential uses for this compound, its role in scientific advancement is likely to expand further.
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