10282-30-1 | 4-Pyrrolidiobenzonitrile

Packsize	Purity	Availability	Price	Discounted Price
1g	98%	in stock	$30.00	$21.00
5g	98%	in stock	$58.00	$40.00
10g	98%	in stock	$89.00	$62.00
25g	98%	in stock	$189.00	$132.00
100g	98%	in stock	$572.00	$400.00

Description

• Catalog Number: AD51229
• Chemical Name: 4-Pyrrolidiobenzonitrile
• CAS Number: 10282-30-1
• Molecular Formula: C11H12N2
• Molecular Weight: 172.2264
• MDL Number: MFCD07368512
• SMILES: N#Cc1ccc(cc1)N1CCCC1

Computed Properties

• Complexity: 201
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 13
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• XLogP3: 3.3

Upstream Synthesis Route

4-(Pyrrolidin-1-yl)benzonitrile serves as a versatile building block in chemical synthesis due to its unique structural properties. This compound is commonly utilized in the creation of various pharmaceuticals, agrochemicals, and materials. Its incorporation in synthesis offers a convenient route to access complex molecular structures with enhanced functionalities. Specifically, 4-(Pyrrolidin-1-yl)benzonitrile can participate in key reactions such as nucleophilic substitution, oxidative coupling, and palladium-catalyzed cross-coupling, enabling the efficient construction of diverse chemical compounds. Additionally, its pyrrolidine moiety imparts stereochemical control in asymmetric synthesis, leading to the production of enantiopure molecules. As a crucial intermediate in organic chemistry, this compound contributes significantly to the development of novel molecules with potential applications across various industries.

Literature

• Electrolyte-concentration and ion-size dependence of excited-state intramolecular charge-transfer reaction in (alkylamino)benzonitriles: steady-state spectroscopic studies.

  The journal of physical chemistry. A 20071115

• Electrolyte-concentration and ion-size dependence of excited-state intramolecular charge-transfer reaction in (alkylamino)benzonitriles: time-resolved fluorescence emission studies.

  The journal of physical chemistry. A 20071115

• Solvent dependence of the spectra and kinetics of excited-state charge transfer in three (alkylamino)benzonitriles.

  The journal of physical chemistry. B 20050203