1075-76-9 | 3-Anilinopropionitrile

Packsize	Purity	Availability	Price	Discounted Price
1g	98%	in stock	$13.00	$9.00
10g	98%	in stock	$15.00	$10.00
25g	98%	in stock	$36.00	$25.00
100g	98%	in stock	$129.00	$90.00
500g	>98.0%(GC)(T)	in stock	$414.00	$290.00

Description

• Catalog Number: AB50150
• Chemical Name: 3-Anilinopropionitrile
• CAS Number: 1075-76-9
• Molecular Formula: C9H10N2
• Molecular Weight: 146.1891
• MDL Number: MFCD00001953
• SMILES: N#CCCNc1ccccc1
• NSC Number: 80663

Computed Properties

• Complexity: 139
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 11
• Hydrogen Bond Acceptor Count: 2
• Hydrogen Bond Donor Count: 1
• Rotatable Bond Count: 3
• XLogP3: 2

Upstream Synthesis Route

3-Anilinopropionitrile, also known as N-(3-cyanopropyl)aniline, is a versatile compound widely used in chemical synthesis due to its unique properties and reactivity. Its primary application lies in the field of organic chemistry, where it serves as a key intermediate in the synthesis of various complex organic molecules.One of the primary uses of 3-Anilinopropionitrile is in the synthesis of pharmaceutical compounds. Its functional group reactivity makes it an essential building block in the production of drugs and pharmaceutical intermediates. By undergoing various chemical reactions, 3-Anilinopropionitrile can be transformed into more intricate structures, enabling the efficient synthesis of bioactive compounds with potential therapeutic applications.Additionally, 3-Anilinopropionitrile plays a crucial role in the preparation of agrochemicals and specialty chemicals. Its versatile nature allows for the introduction of different functional groups, leading to the synthesis of compounds with specific properties and functions. This flexibility makes 3-Anilinopropionitrile a valuable tool in the design and development of novel chemical products for various industrial applications.Furthermore, 3-Anilinopropionitrile is utilized in academic research as a model compound for studying organic reactions and mechanisms. Its well-defined structure and reactivity provide chemists with a platform to explore new synthetic methodologies and investigate reaction pathways. By studying the behavior of 3-Anilinopropionitrile in different chemical environments, researchers can gain valuable insights into the principles of organic chemistry and advance the field through innovative discoveries.In summary, 3-Anilinopropionitrile is a versatile and indispensable compound in chemical synthesis, offering diverse opportunities for the creation of complex organic molecules in pharmaceuticals, agrochemicals, specialty chemicals, and academic research settings. Its strategic importance as an intermediate highlights its significance in advancing the frontiers of organic chemistry and driving innovation in various industries.

Literature

• Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

  Bioorganic & medicinal chemistry letters 20101101