14235-81-5 | 4-Ethynylaniline

Packsize	Purity	Availability	Price	Discounted Price
250mg	98%	in stock	$6.00	$4.00
1g	98%	in stock	$8.00	$5.00
5g	98%	in stock	$15.00	$10.00
10g	98%	in stock	$28.00	$19.00
25g	98%	in stock	$65.00	$45.00

Description

• Catalog Number: AB44980
• Chemical Name: 4-Ethynylaniline
• CAS Number: 14235-81-5
• Molecular Formula: C8H7N
• Molecular Weight: 117.1479
• MDL Number: MFCD00168824
• SMILES: C#Cc1ccc(cc1)N

Computed Properties

• Complexity: 123
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 9
• Hydrogen Bond Acceptor Count: 1
• Hydrogen Bond Donor Count: 1
• Rotatable Bond Count: 1
• XLogP3: 1.3

Upstream Synthesis Route

4-Ethynylaniline is a crucial building block in chemical synthesis, particularly in the field of organic chemistry. Its unique structure, with an ethynyl group attached to the aniline backbone, makes it a versatile reagent for a variety of reactions and transformations. In chemical synthesis, 4-Ethynylaniline is often used as a precursor in the synthesis of various heterocyclic compounds and pharmaceuticals. The ethynyl group provides a reactive site that can participate in cross-coupling reactions, allowing for the introduction of new functional groups. This enables the synthesis of diverse molecules with tailored properties and biological activities.Additionally, 4-Ethynylaniline can be utilized in the construction of conjugated systems, such as polyynes and polyaromatics, through Sonogashira or Glaser coupling reactions. These conjugated structures have applications in materials science, optoelectronics, and molecular electronics.Overall, the strategic use of 4-Ethynylaniline in chemical synthesis enables chemists to access complex organic molecules with precision and efficiency, making it a valuable tool in synthetic organic chemistry.

Literature

• Regular acyclic and macrocyclic [AB] oligomers by formation of push-pull chromophores in the chain-growth step.

  Chemistry (Weinheim an der Bergstrasse, Germany) 20110523

• Density functional studies of dicobalt octacarbonyl-mediated azobenzene formation from 4-ethynylaniline.

  Chemistry (Weinheim an der Bergstrasse, Germany) 20060201