Cas no 21668-34-8 (Benzoyl chloride, 4-methoxy-3,5-dimethyl-)

Benzoyl chloride, 4-methoxy-3,5-dimethyl- structure
21668-34-8 structure
Product Name:Benzoyl chloride, 4-methoxy-3,5-dimethyl-
CAS No:21668-34-8
MF:C10H11ClO2
MW:198.646142244339
MDL:MFCD11111050
CID:1408941
PubChem ID:21435383
Update Time:2025-11-01

Benzoyl chloride, 4-methoxy-3,5-dimethyl- Chemical and Physical Properties

Names and Identifiers

    • Benzoyl chloride, 4-methoxy-3,5-dimethyl-
    • 3,5-Dimethyl-4-methoxybenzoyl chloride
    • 4-methoxy-3,5-dimethylBenzoyl chloride
    • DA-39220
    • SCHEMBL986584
    • 3,5-dimethyl-4-methoxybenzoic acid chloride
    • 3,5-dimethyl-4- methoxybenzoyl chloride
    • E90427
    • 3,5-dimethyl-4-methoxy-benzoyl chloride
    • 4-methoxy-3,5-dimethyl-benzoyl chloride
    • NVSLDNSTGOKOJF-UHFFFAOYSA-N
    • 21668-34-8
    • MDL: MFCD11111050
    • Inchi: 1S/C10H11ClO2/c1-6-4-8(10(11)12)5-7(2)9(6)13-3/h4-5H,1-3H3
    • InChI Key: NVSLDNSTGOKOJF-UHFFFAOYSA-N
    • SMILES: ClC(C1C=C(C)C(=C(C)C=1)OC)=O

Computed Properties

  • Exact Mass: 198.04483
  • Monoisotopic Mass: 198.0447573g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 181
  • 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: 3.1
  • Topological Polar Surface Area: 26.3?2

Experimental Properties

  • PSA: 26.3

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Additional information on Benzoyl chloride, 4-methoxy-3,5-dimethyl-

Comprehensive Overview of Benzoyl chloride, 4-methoxy-3,5-dimethyl- (CAS No. 21668-34-8)

Benzoyl chloride, 4-methoxy-3,5-dimethyl- (CAS No. 21668-34-8) is a specialized organic compound widely utilized in pharmaceutical intermediates, agrochemical synthesis, and advanced material research. Its unique molecular structure, featuring a methoxy group at the 4-position and methyl groups at the 3,5-positions, enhances its reactivity and selectivity in acylating reactions. This compound has garnered significant attention due to its role in synthesizing high-value derivatives for applications ranging from UV stabilizers to bioactive molecules.

In recent years, the demand for 4-methoxy-3,5-dimethylbenzoyl chloride has surged, driven by its compatibility with green chemistry principles. Researchers are exploring solvent-free reactions and catalytic methods to optimize its synthesis, aligning with the global push for sustainable chemical processes. A 2023 study highlighted its potential in photoredox catalysis, a trending topic in organic synthesis circles, where it serves as a key precursor for light-sensitive compounds.

The compound’s CAS No. 21668-34-8 is frequently searched alongside terms like “benzoyl chloride derivatives,” “methoxy-substituted acylating agents,” and “3,5-dimethylbenzoyl chloride applications,” reflecting user interest in its versatility. Analytical techniques such as HPLC and GC-MS are commonly employed to verify its purity, a critical factor for industries requiring high-grade intermediates. Notably, its stability under inert atmospheres makes it a preferred choice for fine chemical manufacturing.

Emerging applications of Benzoyl chloride, 4-methoxy-3,5-dimethyl- include its use in polymeric coatings and electronic materials, where its aromatic core contributes to thermal resistance. Discussions on platforms like ResearchGate often focus on its role in cross-coupling reactions, a hot topic in catalysis research. Furthermore, its low volatility compared to unsubstituted benzoyl chlorides addresses safety concerns, making it a safer alternative in industrial settings.

From an SEO perspective, content around this compound benefits from integrating long-tail keywords such as “synthesis of 4-methoxy-3,5-dimethylbenzoyl chloride” or “CAS 21668-34-8 supplier specifications.” These align with user queries while maintaining technical rigor. As innovation in functionalized benzoyl chlorides accelerates, this compound remains pivotal for R&D teams targeting high-performance materials and specialty chemicals.

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