Cas no 1247573-72-3 (1-(4-Methyl-3-nitrophenyl)ethane-1-sulfonyl chloride)

1-(4-Methyl-3-nitrophenyl)ethane-1-sulfonyl chloride is a specialized sulfonyl chloride derivative used primarily as an intermediate in organic synthesis. Its key structural features—a methyl-substituted aromatic ring and a nitro group—enhance its reactivity, making it valuable for constructing sulfonamide linkages in pharmaceuticals and agrochemicals. The presence of the sulfonyl chloride group allows for efficient nucleophilic substitution reactions with amines or alcohols, facilitating the synthesis of sulfonamides or sulfonate esters. This compound is particularly useful in medicinal chemistry for modifying bioactive molecules due to its balanced reactivity and stability under controlled conditions. Proper handling is essential due to its moisture sensitivity and potential irritancy.
1-(4-Methyl-3-nitrophenyl)ethane-1-sulfonyl chloride structure
1247573-72-3 structure
Product Name:1-(4-Methyl-3-nitrophenyl)ethane-1-sulfonyl chloride
CAS No:1247573-72-3
MF:C9H10ClNO4S
MW:263.698000431061
CID:5157930
Update Time:2025-11-02

1-(4-Methyl-3-nitrophenyl)ethane-1-sulfonyl chloride Chemical and Physical Properties

Names and Identifiers

    • 1-(4-Methyl-3-nitrophenyl)ethane-1-sulfonyl chloride
    • Benzenemethanesulfonyl chloride, α,4-dimethyl-3-nitro-
    • Inchi: 1S/C9H10ClNO4S/c1-6-3-4-8(5-9(6)11(12)13)7(2)16(10,14)15/h3-5,7H,1-2H3
    • InChI Key: MEMCGOMKCMPCIW-UHFFFAOYSA-N
    • SMILES: ClS(C(C)C1C=CC(C)=C(C=1)[N+](=O)[O-])(=O)=O

Computed Properties

  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 2
  • Complexity: 359
  • XLogP3: 2.5
  • Topological Polar Surface Area: 88.3

1-(4-Methyl-3-nitrophenyl)ethane-1-sulfonyl chloride Pricemore >>

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Additional information on 1-(4-Methyl-3-nitrophenyl)ethane-1-sulfonyl chloride

Comprehensive Guide to 1-(4-Methyl-3-nitrophenyl)ethane-1-sulfonyl chloride (CAS 1247573-72-3): Properties, Applications, and Market Insights

1-(4-Methyl-3-nitrophenyl)ethane-1-sulfonyl chloride (CAS 1247573-72-3) is a specialized sulfonyl chloride derivative with significant applications in pharmaceutical and chemical research. This compound, characterized by its nitrophenyl and sulfonyl chloride functional groups, serves as a key intermediate in the synthesis of various bioactive molecules. Its unique structure makes it valuable for drug discovery and material science, aligning with current trends in green chemistry and sustainable synthesis.

The molecular formula of 1-(4-Methyl-3-nitrophenyl)ethane-1-sulfonyl chloride is C9H10ClNO4S, with a molecular weight of 263.7 g/mol. Its sulfonyl chloride group (-SO2Cl) is highly reactive, enabling it to participate in nucleophilic substitution reactions, a feature widely exploited in peptide coupling and polymer chemistry. Researchers frequently search for "sulfonyl chloride applications" or "nitrophenyl derivatives in drug synthesis," highlighting its relevance in modern laboratories.

In pharmaceutical applications, 1-(4-Methyl-3-nitrophenyl)ethane-1-sulfonyl chloride is utilized as a building block for small molecule inhibitors and protease-targeting drugs. Its electron-withdrawing nitro group enhances the reactivity of adjacent positions, making it ideal for constructing heterocyclic compounds. Recent studies emphasize its role in developing anticancer agents and anti-inflammatory drugs, addressing growing demand for targeted therapies.

The compound's stability under controlled conditions and compatibility with microwave-assisted synthesis (a trending topic in organic chemistry optimization) further boosts its utility. Laboratories focusing on high-throughput screening often seek "CAS 1247573-72-3 suppliers" or "sulfonation reagents for medicinal chemistry," reflecting its niche yet critical role.

From an industrial perspective, 1-(4-Methyl-3-nitrophenyl)ethane-1-sulfonyl chloride aligns with the shift toward atom-efficient synthesis. Its use in catalysis and ligand design supports the development of environmentally benign processes, a priority for pharmaceutical manufacturers complying with REACH regulations. Market analyses indicate rising interest in "specialty sulfonylating agents" and "nitroaromatic intermediates," driven by advancements in bioconjugation techniques.

Handling this compound requires standard laboratory safety protocols, including the use of anhydrous conditions and inert atmospheres to preserve its reactivity. While not classified as hazardous under normal use, proper storage in moisture-free environments is essential—a point frequently queried as "stability of sulfonyl chlorides" in scientific forums.

In summary, 1-(4-Methyl-3-nitrophenyl)ethane-1-sulfonyl chloride (CAS 1247573-72-3) exemplifies the intersection of structural versatility and practical utility in modern chemistry. Its applications span drug development, materials engineering, and process chemistry, making it a compound of enduring interest. As research trends evolve toward precision synthesis and functional materials, this sulfonyl chloride derivative will likely remain a staple in innovative chemical workflows.

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