Cas no 49783-72-4 (3-Methylisoxazole-5-carbonyl chloride)

3-Methylisoxazole-5-carbonyl chloride is a versatile acyl chloride derivative used primarily as a key intermediate in organic synthesis and pharmaceutical manufacturing. Its reactive carbonyl chloride group enables efficient acylation reactions, making it valuable for constructing heterocyclic compounds and functionalized isoxazole derivatives. The compound's stability under controlled conditions and high purity ensure consistent performance in nucleophilic substitution and coupling reactions. Its structural motif is particularly useful in medicinal chemistry for developing bioactive molecules. Proper handling under inert atmospheres is recommended due to its moisture sensitivity. This reagent is favored for its selectivity and compatibility with a range of substrates in complex synthetic pathways.
3-Methylisoxazole-5-carbonyl chloride structure
49783-72-4 structure
Product Name:3-Methylisoxazole-5-carbonyl chloride
CAS No:49783-72-4
MF:C5H4ClNO2
MW:145.543760299683
MDL:MFCD09817464
CID:840322
PubChem ID:12905099
Update Time:2025-05-26

3-Methylisoxazole-5-carbonyl chloride Chemical and Physical Properties

Names and Identifiers

    • 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 Security Information

  • Hazard Category Code: 36
  • Safety Instruction: 26
  • Hazardous Material Identification: C Xi
  • HazardClass:IRRITANT

3-Methylisoxazole-5-carbonyl chloride Customs Data

  • HS CODE:2934999090
  • Customs Data:

    China Customs Code:

    2934999090

    Overview:

    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

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.

Recommended suppliers
Zhangzhou Sinobioway Peptide Co.,Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Zhangzhou Sinobioway Peptide Co.,Ltd.
Hebei Liye chemical Co.,Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Hebei Liye chemical Co.,Ltd
Zhejiang Brunova Technology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Zhejiang Brunova Technology Co., Ltd.
Wuhan ChemNorm Biotech Co.,Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Wuhan ChemNorm Biotech Co.,Ltd.
Handan Zechi Trading Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk