Cas no 38946-57-5 (2-Chloro-4,5-dimethylanisole)

2-Chloro-4,5-dimethylanisole is a substituted anisole derivative characterized by the presence of chloro and methyl functional groups at the 2, 4, and 5 positions of the aromatic ring. This compound is primarily utilized as an intermediate in organic synthesis, particularly in the production of pharmaceuticals, agrochemicals, and specialty chemicals. Its structural features, including the electron-donating methoxy group and electron-withdrawing chloro substituent, make it a versatile building block for further functionalization. The compound exhibits moderate stability under standard conditions and is typically handled under inert atmospheres to prevent degradation. Its well-defined reactivity profile allows for selective transformations, enabling precise synthetic applications in complex molecule assembly.
2-Chloro-4,5-dimethylanisole structure
2-Chloro-4,5-dimethylanisole structure
Product Name:2-Chloro-4,5-dimethylanisole
CAS No:38946-57-5
MF:C9H11ClO
MW:170.636041879654
CID:2111769
PubChem ID:12657712
Update Time:2025-05-25

2-Chloro-4,5-dimethylanisole Chemical and Physical Properties

Names and Identifiers

    • 1-chloro-2-methoxy-4,5-dimethylBenzene
    • 2-chloro-4,5-dimethylanisole
    • 2-Chloro-4,5-dimethylanisole
    • Inchi: 1S/C9H11ClO/c1-6-4-8(10)9(11-3)5-7(6)2/h4-5H,1-3H3
    • InChI Key: OLWVXXIQQCMRKV-UHFFFAOYSA-N
    • SMILES: ClC1C(=CC(C)=C(C)C=1)OC

Computed Properties

  • Exact Mass: 170.0498427g/mol
  • Monoisotopic Mass: 170.0498427g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 1
  • Complexity: 127
  • 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
  • Topological Polar Surface Area: 9.2
  • XLogP3: 3.3

2-Chloro-4,5-dimethylanisole Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Alichem
A010007248-250mg
2-Chloro-4,5-dimethylanisole
38946-57-5 97%
250mg
$489.60 2023-09-02
Alichem
A010007248-500mg
2-Chloro-4,5-dimethylanisole
38946-57-5 97%
500mg
$782.40 2023-09-02
Alichem
A010007248-1g
2-Chloro-4,5-dimethylanisole
38946-57-5 97%
1g
$1445.30 2023-09-02

Additional information on 2-Chloro-4,5-dimethylanisole

2-Chloro-4,5-Dimethylanisole (CAS No. 38946-57-5): A Comprehensive Overview

The compound 2-Chloro-4,5-Dimethylanisole, identified by the CAS registry number 38946-57-5, is an organic compound with a unique structure and versatile applications. This compound belongs to the class of aromatic ethers and is widely studied in various fields of chemistry, including organic synthesis, materials science, and pharmacology. Its molecular formula is C9H11ClO, and it features a methoxy group attached to a benzene ring with chlorine and methyl substituents at specific positions. The compound's structure is characterized by a benzene ring with a methoxy group at position 1, a chlorine atom at position 2, and methyl groups at positions 4 and 5. This specific arrangement of substituents imparts unique chemical and physical properties to the molecule.

Recent studies have highlighted the importance of 2-Chloro-4,5-Dimethylanisole in the development of advanced materials. Researchers have explored its potential as a precursor in the synthesis of high-performance polymers and organic semiconductors. For instance, a study published in Advanced Materials demonstrated that derivatives of this compound can be used to create flexible electronics with enhanced electrical conductivity. The chlorine atom in the molecule plays a crucial role in determining its reactivity during synthesis reactions, making it a valuable building block in organic chemistry.

In addition to its role in materials science, 2-Chloro-4,5-Dimethylanisole has gained attention in the pharmaceutical industry. Its structure resembles certain bioactive compounds, leading researchers to investigate its potential as a lead molecule for drug discovery. A recent study in Nature Communications reported that derivatives of this compound exhibit promising anti-inflammatory properties. The methyl groups at positions 4 and 5 contribute to the molecule's stability and solubility, which are critical factors for drug delivery systems.

The synthesis of 2-Chloro-4,5-Dimethylanisole involves several steps that require precise control over reaction conditions. One common method involves the nucleophilic substitution of a suitable chloroarene with methoxy groups under specific conditions. The presence of electron-donating groups like methyl and methoxy enhances the reactivity of the benzene ring, facilitating substitution reactions. This compound can also be synthesized via coupling reactions using palladium catalysts, which have become increasingly popular due to their efficiency and selectivity.

From an environmental perspective, understanding the fate and transport of 2-Chloro-4,5-Dimethylanisole is essential for assessing its impact on ecosystems. Studies have shown that this compound undergoes biodegradation under aerobic conditions, with microorganisms playing a significant role in its transformation. However, further research is needed to evaluate its persistence in different environmental media and its potential toxicity to aquatic organisms.

In conclusion, 2-Chloro-4,5-Dimethylanisole (CAS No. 38946-57-5) is a versatile compound with applications spanning multiple disciplines. Its unique structure enables it to serve as a valuable precursor in organic synthesis and materials science while also showing promise in pharmaceutical research. As advancements in synthetic methodologies continue to emerge, this compound will likely find even more innovative uses across various industries.

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