39650-63-0

Basic information

• Product Name: 1H-benzimidazole-pentane-2-amine
• Synonyms: 1H-benzimidazole-pentane-2-amine;1H-Benzimidazole-2-pentanamine;2-(5-Aminopentyl)benzimidazole;2-(5-Aminopentyl)-1H-benzimidazole;5-(1H-benzimidazol-2-yl)-1-pentanamine;5-(1H-benzimidazol-2-yl)pentan-1-amine
• CAS NO: 39650-63-0
• Molecular Formula: C₁₂H₁₇N₃
• Molecular Weight: 203.2835
• EINECS: 254-565-5
• Mol File: 39650-63-0.mol

Chemical Properties

• Boiling Point: 423.8°Cat760mmHg
• Flash Point: 239.7°C
• Appearance: /
• Density: 1.122g/cm³
• Vapor Pressure: 2.18E-07mmHg at 25°C
• Refractive Index: 1.619
• CAS DataBase Reference: 1H-benzimidazole-pentane-2-amine(CAS DataBase Reference)
• NIST Chemistry Reference: 1H-benzimidazole-pentane-2-amine(39650-63-0)
• EPA Substance Registry System: 1H-benzimidazole-pentane-2-amine(39650-63-0)

Safety Data

• Hazardous Substances Data: 39650-63-0(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Industry:
1H-benzimidazole-pentane-2-amine serves as a crucial building block for the synthesis of a variety of drugs and pharmaceutical compounds. Its ability to form strong hydrogen bonds and engage in hydrophobic interactions makes it a valuable component in drug design and synthesis, enhancing the efficacy and selectivity of the resulting pharmaceuticals.

InChI:InChI=1/C12H17N3/c13-9-5-1-2-8-12-14-10-6-3-4-7-11(10)15-12/h3-4,6-7H,1-2,5,8-9,13H2,(H,14,15)

Upstream product

• 95-54-5 1,2-diamino-benzene 
• 60-32-2 6-aminohexanoic acid 
• 105-60-2 caprolactam 

Downstream Products

• 19979-46-5 7,8,9,10-tetrahydro-6H-benzo[4,5]imidazo[1,2-a]azepine 

Relevant articles and documents

Impact of N-Alkylamino Substituents on Serotonin Receptor (5-HTR) Affinity and Phosphodiesterase 10A (PDE10A) Inhibition of Isoindole-1,3-dione Derivatives

In this study, a series of compounds derived from 4-methoxy-1H-isoindole-1,3(2H)-dione, potential ligands of phosphodiesterase 10A and serotonin receptors, were investigated as potential antipsychotics. A library of 4-methoxy-1H-isoindole-1,3(2H)-dione derivatives with various amine moieties was synthesized and examined for their phosphodiesterase 10A (PDE10A)-inhibiting properties and their 5-HT1A and 5-HT7 receptor affinities. Based on in vitro studies, the most potent compound, 18 (2-[4-(1H-benzimidazol-2-yl)butyl]-4-methoxy-1H-isoindole-1,3(2H)-dione), was selected and its safety in vitro was evaluated. In order to explain the binding mode of compound 18 in the active site of the PDE10A enzyme and describe the molecular interactions responsible for its inhibition, computer-aided docking studies were performed. The potential antipsychotic properties of compound 18 in a behavioral model of schizophrenia were also investigated.

Process for preparing a 2(ω-aminoalkyl)-1,3-heterocyclic compounds

2-(ω-AMINOALKYL)-1,3-HETEROCYCLIC COMPOUNDS ARE PREPARED BY REACTING A COMPOUND SELECTED FROM THE GROUP OF A DIAMINE, AN AMINOHYDROXY AND AN AMINOTHIOL COMPOUND, SAID COMPOUND HAVING THE FORMULA: EQU1 wherein EQU2 A is a bivalent chain of 2 or 3 carbon atoms, which can also be part of a bivalent, optionally substituted aliphatic, cycloaliphatic, araliphatic or aromatic radical, and X is oxygen, sulphur or the group EQU3 wherein R7 is as defined herein with a lactam having the formula EQU4 WHEREIN B is selected from the group of a single bond, oxygen, sulphur, the group EQU5 wherein R6 is as defined herein, and arylene, R1, r2, r3 and R4, which may be the same or different, are selected from the group of hydrogen, halogen, nitro and optionally substituted aliphatic, cycloaliphatic, araliphatic and aromatic, R5, r6 and R7, which may be the same or different, are selected from the group of hydrogen and optionally substituted aliphatic, cycloaliphatic, araliphatic and aromatic, and n and m, which may be the same or different, are intergers of from 1 to 14, with the proviso that the sum of n and m does not exceed 15, At a temperature of from 100° to 300°C in the presence of at least a catalytic quantity of an acid and/or an acid catalyst.