101-16-6 | 3-Methoxydiphenylamine

Packsize	Purity	Availability	Price	Discounted Price
5g	97%	in stock	$6.00	$4.00
10g	97%	in stock	$8.00	$6.00
25g	97%	in stock	$18.00	$13.00
100g	97%	in stock	$39.00	$28.00

Description

• Catalog Number: AA04224
• Chemical Name: 3-Methoxydiphenylamine
• CAS Number: 101-16-6
• Molecular Formula: C13H13NO
• Molecular Weight: 199.2484
• MDL Number: MFCD00008383
• SMILES: COc1cccc(c1)Nc1ccccc1

Computed Properties

• Complexity: 177
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 15
• Hydrogen Bond Acceptor Count: 2
• Hydrogen Bond Donor Count: 1
• Rotatable Bond Count: 3
• XLogP3: 3.4

Upstream Synthesis Route

3-Methoxy-N-phenylaniline, also known as 3-methoxyaniline, is a key compound widely used in chemical synthesis, particularly in the pharmaceutical and agriculture industries. Its unique chemical structure and properties make it a valuable building block for creating a variety of advanced materials and functional molecules.In chemical synthesis, 3-Methoxy-N-phenylaniline serves as a versatile intermediate for the production of various organic compounds. Its methoxy and phenyl groups enable it to participate in a range of reactions, such as electrophilic aromatic substitution, nucleophilic addition, and oxidative coupling. This allows chemists to incorporate the molecule into complex structures, providing control over the final product's properties and functionalities.One common application of 3-Methoxy-N-phenylaniline is in the synthesis of pharmaceuticals. Its presence in the molecular structure of certain drugs can enhance their bioavailability, stability, or target specificity. By strategically incorporating 3-Methoxy-N-phenylaniline into drug candidates, researchers can optimize their pharmacological properties and improve their overall performance in therapeutic applications.In addition to pharmaceuticals, 3-Methoxy-N-phenylaniline finds uses in the development of agrochemicals. Its role as a synthetic intermediate allows for the creation of specialized pesticides, herbicides, and fungicides with tailored properties for effective crop protection and pest management. By leveraging the unique reactivity of 3-Methoxy-N-phenylaniline, chemists can design novel agrochemicals that are both potent and environmentally friendly.Beyond its applications in specific industries, 3-Methoxy-N-phenylaniline exemplifies the importance of precise synthetic chemistry in enabling innovation and discovery. Its versatile nature and utility as a building block highlight the critical role that carefully designed molecules play in advancing scientific research and technological development.

Literature

• Prediction of genotoxicity of chemical compounds by statistical learning methods.

  Chemical research in toxicology 20050601