Cas no 51671-69-3 (benzoyl chloride, 2-methoxy-4-methyl- (9ci))

Benzoyl chloride, 2-methoxy-4-methyl- (9CI), is a specialized organic compound featuring a benzoyl chloride core substituted with methoxy and methyl groups at the 2- and 4-positions, respectively. This structure enhances its reactivity as an acylating agent, making it valuable in synthetic organic chemistry for introducing the 2-methoxy-4-methylbenzoyl moiety into target molecules. Its electron-donating substituents influence its electrophilic character, allowing selective reactions under controlled conditions. The compound is typically used in pharmaceutical and fine chemical synthesis, where precise functionalization is critical. Proper handling is essential due to its moisture sensitivity and potential lachrymatory effects. Storage under inert conditions is recommended to maintain stability.
benzoyl chloride, 2-methoxy-4-methyl- (9ci) structure
51671-69-3 structure
Product Name:benzoyl chloride, 2-methoxy-4-methyl- (9ci)
CAS No:51671-69-3
MF:C9H9ClO2
MW:184.619561910629
CID:935689
PubChem ID:13950172
Update Time:2025-08-05

benzoyl chloride, 2-methoxy-4-methyl- (9ci) Chemical and Physical Properties

Names and Identifiers

    • benzoyl chloride, 2-methoxy-4-methyl- (9ci)
    • 2-methoxy-4-methylbenzoyl chloride
    • DA-05288
    • E90074
    • SY353743
    • AKOS000297425
    • DTXSID60553103
    • SCHEMBL11756782
    • ZXHHHBPLVWGPPX-UHFFFAOYSA-N
    • 51671-69-3
    • MFCD11111051
    • Inchi: 1S/C9H9ClO2/c1-6-3-4-7(9(10)11)8(5-6)12-2/h3-5H,1-2H3
    • InChI Key: ZXHHHBPLVWGPPX-UHFFFAOYSA-N
    • SMILES: ClC(C1C=CC(C)=CC=1OC)=O

Computed Properties

  • Exact Mass: 184.0291072g/mol
  • Monoisotopic Mass: 184.0291072g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 170
  • 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: 2.8
  • Topological Polar Surface Area: 26.3?2

benzoyl chloride, 2-methoxy-4-methyl- (9ci) Pricemore >>

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Additional information on benzoyl chloride, 2-methoxy-4-methyl- (9ci)

Benzoyl Chloride, 2-Methoxy-4-Methyl- (9CI): A Comprehensive Overview in Modern Chemical Biology

Benzoyl chloride, 2-methoxy-4-methyl- (9CI) is a specialized organic compound that has garnered significant attention in the field of chemical biology due to its versatile applications in pharmaceutical synthesis and biochemical research. This compound, identified by its CAS number 51671-69-3, represents a derivative of benzoyl chloride with methoxy and methyl substituents, which confer unique reactivity and functionality. The structural features of this molecule make it a valuable intermediate in the development of various bioactive molecules, including drug candidates and research tools.

The< strong>2-methoxy-4-methyl substituents in< strong>Benzoyl Chloride, 2-methoxy-4-methyl- (9CI) play a crucial role in modulating its chemical properties. The methoxy group introduces a polar ether linkage, enhancing solubility in polar solvents and facilitating interactions with biological targets. Meanwhile, the methyl group provides steric hindrance, influencing the compound's reactivity and selectivity in various synthetic pathways. These structural attributes have been leveraged in recent studies to develop novel methodologies for constructing complex molecular architectures.

In recent years, there has been a surge in research focused on harnessing the< strong>Benzoyl Chloride, 2-methoxy-4-methyl- (9CI) scaffold for the synthesis of pharmacologically active compounds. One notable area of investigation involves its use as a precursor in the preparation of heterocyclic derivatives, which are known for their broad spectrum of biological activities. For instance, researchers have employed this compound to develop inhibitors targeting enzymes involved in inflammatory pathways. These inhibitors have shown promise in preclinical studies, highlighting the potential of< strong>Benzoyl Chloride, 2-methoxy-4-methyl- (9CI) as a key building block in drug discovery.

The< strong>CAS number 51671-69-3 associated with< strong>Benzoyl Chloride, 2-methoxy-4-methyl- (9CI) underscores its significance as a regulated chemical entity in industrial and academic settings. Its precise identification ensures consistency and reproducibility across different research projects and manufacturing processes. This has been particularly important in collaborative efforts where standardization of reagents is essential for achieving reliable results.

Advances in synthetic chemistry have further expanded the utility of< strong>Benzoyl Chloride, 2-methoxy-4-methyl- (9CI). Modern techniques such as flow chemistry and microwave-assisted synthesis have enabled more efficient and scalable production methods. These innovations have not only improved the availability of the compound but also opened new avenues for exploring its applications. For example, flow chemistry has been utilized to generate libraries of derivatives rapidly, facilitating high-throughput screening for novel bioactive molecules.

The role of< strong>Benzoyl Chloride, 2-methoxy-4-methyl- (9CI) extends beyond pharmaceutical applications into agrochemicals and material science. In agrochemistry, derivatives of this compound have been investigated for their potential as intermediates in the synthesis of pesticides and herbicides. The unique structural features allow for tailored reactivity that can be harnessed to develop environmentally friendly alternatives to conventional agrochemicals.

In material science, the< strong>2-methoxy-4-methyl moiety has been exploited to design functional materials with specific properties. For instance, polymers incorporating this motif have demonstrated enhanced thermal stability and biodegradability. Such materials are increasingly relevant in sustainable development efforts aimed at reducing environmental impact while maintaining performance standards.

The intersection of computational chemistry and experimental biology has also shed new light on the applications of< strong>Benzoyl Chloride, 2-methoxy-4-methyl- (9CI). Molecular modeling studies have provided insights into how structural modifications influence interactions with biological targets at the molecular level. These insights have guided researchers in designing more effective derivatives with improved pharmacokinetic profiles. Such interdisciplinary approaches are crucial for translating laboratory discoveries into tangible benefits for human health.

In conclusion,< strong>Benzoyl Chloride, 2-methoxy-4-methyl- (9CI), identified by its CAS number 51671-69-3, is a multifaceted compound with far-reaching implications across multiple scientific disciplines. Its unique structural features make it an invaluable tool for synthetic chemists and biologists alike. As research continues to uncover new applications and methodologies leveraging this compound, its importance is poised to grow further. The ongoing exploration of its potential promises to yield innovative solutions to complex challenges in medicine, agriculture, and materials science.

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