Cas no 70261-50-6 (2,6-Dimethyl-3-(phenylmethoxy)-aniline)

2,6-Dimethyl-3-(phenylmethoxy)-aniline is a substituted aniline derivative featuring a phenylmethoxy group at the 3-position and methyl groups at the 2- and 6-positions. This structural configuration enhances its utility as an intermediate in organic synthesis, particularly in the preparation of pharmaceuticals, agrochemicals, and specialty chemicals. The electron-donating methyl and phenylmethoxy groups influence its reactivity, making it suitable for selective functionalization or coupling reactions. Its well-defined molecular structure ensures consistent performance in synthetic applications. The compound is typically handled under controlled conditions due to its amine functionality, which may require protection in certain reaction schemes. Its purity and stability are critical for reproducible results in research and industrial processes.
2,6-Dimethyl-3-(phenylmethoxy)-aniline structure
70261-50-6 structure
Product Name:2,6-Dimethyl-3-(phenylmethoxy)-aniline
CAS No:70261-50-6
MF:C15H17NO
MW:227.301584005356
MDL:MFCD30720455
CID:1064874
PubChem ID:22329432
Update Time:2025-05-24

2,6-Dimethyl-3-(phenylmethoxy)-aniline Chemical and Physical Properties

Names and Identifiers

    • 2,6-Dimethyl-3-(phenylmethoxy)-aniline
    • 2,6-diMethyl-3-(phenylMethoxy)-benzenaMine
    • 3-amino-2,4-dimethylphenyl benzyl ether
    • 3-(Benzyloxy)-2,6-dimethylaniline
    • FT-0667464
    • 3-benzyloxy-2,6-dimethylaniline
    • EN300-7158274
    • SCHEMBL6351911
    • 2,6-Dimethyl-3-phenylmethoxyaniline
    • KMXQUVMDZUGZIA-UHFFFAOYSA-N
    • CS-0119376
    • 70261-50-6
    • starbld0006205
    • 3-Benzyloxy-2,6-dimethylaniline; 2,6-dimethyl-3-(phenylmethoxy)-benzenamine
    • DB-302532
    • MDL: MFCD30720455
    • Inchi: 1S/C15H17NO/c1-11-8-9-14(12(2)15(11)16)17-10-13-6-4-3-5-7-13/h3-9H,10,16H2,1-2H3
    • InChI Key: KMXQUVMDZUGZIA-UHFFFAOYSA-N
    • SMILES: O(CC1C=CC=CC=1)C1C=CC(C)=C(C=1C)N

Computed Properties

  • Exact Mass: 227.13100
  • Monoisotopic Mass: 227.131014166g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 3
  • Complexity: 225
  • 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: 3.4
  • Topological Polar Surface Area: 35.2?2

Experimental Properties

  • PSA: 35.25000
  • LogP: 4.04580

2,6-Dimethyl-3-(phenylmethoxy)-aniline Pricemore >>

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Additional information on 2,6-Dimethyl-3-(phenylmethoxy)-aniline

2,6-Dimethyl-3-(phenylmethoxy)-aniline: A Comprehensive Overview

2,6-Dimethyl-3-(phenylmethoxy)-aniline, also known by its CAS Registry Number 70261-50-6, is a versatile organic compound with significant applications in various fields of chemistry. This compound is a derivative of aniline, featuring a phenylmethoxy group at the 3-position and methyl groups at the 2 and 6 positions. Its unique structure endows it with distinct chemical properties, making it a valuable intermediate in the synthesis of pharmaceuticals, agrochemicals, and advanced materials.

The synthesis of 2,6-Dimethyl-3-(phenylmethoxy)-aniline typically involves multi-step reactions, often starting from aniline derivatives. Recent advancements in catalytic methods have enabled more efficient and environmentally friendly syntheses. For instance, researchers have explored the use of palladium-catalyzed coupling reactions to construct the phenylmethoxy group with high precision. These methods not only enhance yield but also minimize by-products, aligning with the growing demand for sustainable chemical processes.

In terms of applications, 2,6-Dimethyl-3-(phenylmethoxy)-aniline has garnered attention in the pharmaceutical industry as a key intermediate in drug development. Its role in the synthesis of bioactive compounds has been extensively studied. For example, a 2023 study published in the Journal of Medicinal Chemistry highlighted its use as a precursor for novel kinase inhibitors, demonstrating its potential in treating various cancers. The compound's ability to form stable intermediates during these reactions underscores its importance in medicinal chemistry.

The electronic properties of 2,6-Dimethyl-3-(phenylmethoxy)-aniline also make it an attractive candidate for materials science applications. Recent research has focused on its use as a building block for organic semiconductors. A 2024 paper in Advanced Materials reported that derivatives of this compound exhibit enhanced charge transport properties, making them suitable for next-generation electronic devices such as flexible displays and sensors.

In addition to its synthetic applications, 2,6-Dimethyl-3-(phenylmethoxy)-aniline has been studied for its environmental fate and toxicity. Understanding its behavior in natural systems is crucial for assessing its potential impact on ecosystems. A 2024 study conducted by environmental chemists revealed that the compound undergoes rapid biodegradation under aerobic conditions, reducing concerns about long-term accumulation in the environment.

The structural versatility of CAS No. 70261-50-6 allows for further functionalization to tailor its properties for specific applications. For instance, researchers have explored the introduction of additional substituents to enhance its solubility or reactivity. These modifications are expected to expand its utility across diverse industries.

In conclusion, 2,6-Dimethyl-3-(phenylmethoxy)-aniline, or CAS No. 70261-50-6, is a multifaceted compound with significant potential in pharmaceuticals, materials science, and beyond. Its unique structure and reactivity continue to drive innovative research and development efforts. As advancements in synthetic methodologies and application studies progress, this compound is poised to play an even more prominent role in modern chemistry.

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