Cas no 49783-72-4 (3-Methylisoxazole-5-carbonyl chloride)
3-Methylisoxazole-5-carbonyl chloride Chemical and Physical Properties
Names and Identifiers
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- 3-Methylisoxazole-5-carbonyl chloride
- 3-methyl-1,2-oxazole-5-carbonyl chloride
- 3-Methyl-5-isoxazolecarbonyl chloride
- 5-Isoxazolecarbonyl chloride, 3-Methyl-
- 3-methylisoxazol-5-carbonyl chloride
- 3-Methyl-isoxazol-5-carbonylchlorid
- AKOS005111165
- 3-Methylisoxazole-5-carbonylchloride
- MS-22545
- F2146-0672
- VUBCNGCMOPTDED-UHFFFAOYSA-N
- ZBA78372
- 3-Methyl-isoxazole-5-carbonyl chloride
- MFCD09817464
- DTXSID90512622
- SCHEMBL1797269
- 5-Isoxazolecarbonyl chloride,3-methyl-(9ci)
- J-512914
- EN300-219128
- 49783-72-4
- DB-010788
- 5-Isoxazolecarbonyl chloride, 3-methyl- (9CI)
-
- MDL: MFCD09817464
- Inchi: 1S/C5H4ClNO2/c1-3-2-4(5(6)8)9-7-3/h2H,1H3
- InChI Key: VUBCNGCMOPTDED-UHFFFAOYSA-N
- SMILES: ClC(C1=CC(C)=NO1)=O
Computed Properties
- Exact Mass: 144.99300
- Monoisotopic Mass: 144.9930561g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 9
- Rotatable Bond Count: 1
- Complexity: 128
- 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: 1.6
- Topological Polar Surface Area: 43.1?2
Experimental Properties
- Density: 1.346
- Melting Point: 39-41°C
- Boiling Point: 239.931°C at 760 mmHg
- Flash Point: 98.907°C
- Refractive Index: 1.498
- PSA: 43.10000
- LogP: 1.36200
3-Methylisoxazole-5-carbonyl chloride Customs Data
- HS CODE:2934999090
- Customs Data:
China Customs Code:
2934999090Overview:
2934999090. Other heterocyclic compounds. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%
Declaration elements:
Product Name, component content, use to
Summary:
2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
3-Methylisoxazole-5-carbonyl chloride Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | M315038-250mg |
3-Methylisoxazole-5-carbonyl chloride |
49783-72-4 | 250mg |
$282.00 | 2023-05-17 | ||
| TRC | M315038-500mg |
3-Methylisoxazole-5-carbonyl chloride |
49783-72-4 | 500mg |
$442.00 | 2023-05-17 | ||
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | 054618-500mg |
3-Methyl-5-isoxazolecarbonyl chloride |
49783-72-4 | 500mg |
2778.0CNY | 2021-07-13 | ||
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | 054618-1g |
3-Methyl-5-isoxazolecarbonyl chloride |
49783-72-4 | 1g |
4274.0CNY | 2021-07-13 | ||
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | 054618-500mg |
3-Methyl-5-isoxazolecarbonyl chloride |
49783-72-4 | 500mg |
2778CNY | 2021-05-07 | ||
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | 054618-1g |
3-Methyl-5-isoxazolecarbonyl chloride |
49783-72-4 | 1g |
4274CNY | 2021-05-07 | ||
| Apollo Scientific | OR14877-250mg |
3-Methylisoxazole-5-carbonyl chloride |
49783-72-4 | 97% | 250mg |
£105.00 | 2024-07-28 | |
| Apollo Scientific | OR14877-1g |
3-Methylisoxazole-5-carbonyl chloride |
49783-72-4 | 97% | 1g |
£210.00 | 2024-07-28 | |
| Chemenu | CM369919-1g |
5-Isoxazolecarbonyl chloride, 3-methyl- (9CI) |
49783-72-4 | 95%+ | 1g |
$*** | 2023-05-30 | |
| abcr | AB222802-250mg |
3-Methylisoxazole-5-carbonyl chloride, tech.; . |
49783-72-4 | 250mg |
€173.50 | 2025-03-19 |
3-Methylisoxazole-5-carbonyl chloride Related Literature
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José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
Additional information on 3-Methylisoxazole-5-carbonyl chloride
Recent Advances in the Application of 3-Methylisoxazole-5-carbonyl chloride (CAS: 49783-72-4) in Chemical Biology and Pharmaceutical Research
3-Methylisoxazole-5-carbonyl chloride (CAS: 49783-72-4) is a versatile chemical intermediate that has garnered significant attention in recent years due to its potential applications in chemical biology and pharmaceutical research. This compound, characterized by its reactive acyl chloride group and isoxazole ring, serves as a key building block for the synthesis of various biologically active molecules. Recent studies have explored its utility in drug discovery, particularly in the development of enzyme inhibitors, antimicrobial agents, and targeted therapeutics.
One of the most notable advancements involves the use of 3-Methylisoxazole-5-carbonyl chloride in the synthesis of novel kinase inhibitors. Researchers have demonstrated its efficacy in forming stable amide bonds with amino groups in target peptides or small molecules, thereby enabling the creation of potent and selective inhibitors. A 2023 study published in the Journal of Medicinal Chemistry highlighted its role in the development of a new class of EGFR inhibitors, showing promising results in preclinical models of non-small cell lung cancer.
In addition to its applications in oncology, this compound has also been investigated for its antimicrobial properties. A recent study in Bioorganic & Medicinal Chemistry Letters reported the synthesis of a series of 3-Methylisoxazole-5-carbonyl chloride-derived sulfonamides, which exhibited broad-spectrum activity against drug-resistant bacterial strains. The researchers attributed this activity to the compound's ability to disrupt bacterial cell wall synthesis, offering a potential pathway for addressing antibiotic resistance.
Another emerging area of research focuses on the use of 3-Methylisoxazole-5-carbonyl chloride in chemical biology for protein labeling and modification. Its reactive acyl chloride group allows for efficient conjugation with nucleophilic residues such as lysine and cysteine, making it a valuable tool for studying protein-protein interactions and post-translational modifications. A 2022 paper in ACS Chemical Biology detailed its application in the development of activity-based probes for detecting serine hydrolases in complex biological samples.
Despite these promising developments, challenges remain in optimizing the stability and selectivity of 3-Methylisoxazole-5-carbonyl chloride-derived compounds. Recent work has focused on improving the pharmacokinetic properties of these molecules through structural modifications and formulation strategies. For instance, a 2023 study in Molecular Pharmaceutics explored the use of prodrug approaches to enhance the bioavailability of 3-Methylisoxazole-5-carbonyl chloride-based therapeutics.
In conclusion, 3-Methylisoxazole-5-carbonyl chloride (CAS: 49783-72-4) continues to be a valuable scaffold in chemical biology and pharmaceutical research. Its versatility in forming stable conjugates with various biomolecules, combined with its potential therapeutic applications, makes it a compound of significant interest. Future research directions may include further exploration of its mechanism of action, optimization of its derivatives for clinical use, and expansion of its applications in targeted drug delivery systems.
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