40832-99-3

Basic information

• Product Name: 1-phenylazepane
• Synonyms: 1-phenylazepane
• CAS NO: 40832-99-3
• Molecular Formula: C₁₂H₁₇N
• Molecular Weight: 175.27
• Mol File: 40832-99-3.mol
• Article Data: 30

Chemical Properties

• Boiling Point: 277.5°C at 760 mmHg
• Flash Point: 111.2°C
• Appearance: /
• Density: 0.976g/cm³
• Vapor Pressure: 0.0045mmHg at 25°C
• Refractive Index: 1.532
• CAS DataBase Reference: 1-phenylazepane(CAS DataBase Reference)
• NIST Chemistry Reference: 1-phenylazepane(40832-99-3)
• EPA Substance Registry System: 1-phenylazepane(40832-99-3)

Safety Data

• Hazardous Substances Data: 40832-99-3(Hazardous Substances Data)

Usage

General Description

1-Phenylazepane is a chemical compound with the molecular formula C14H21N. It is a member of the azepane family and is composed of a seven-membered ring with a phenyl group attached at position 1. 1-phenylazepane is primarily used in research and development as a building block for the synthesis of pharmaceuticals and other complex organic molecules. It may also exhibit some pharmacological properties, although its specific biological effects have not been extensively studied. 1-Phenylazepane can be synthesized through various methods, and its chemical structure and properties make it a useful intermediate in organic chemistry. Additionally, it may have potential applications in medicinal chemistry as a structural motif for the development of novel drug candidates.

InChI:InChI=1/C12H17N/c1-2-7-11-13(10-6-1)12-8-4-3-5-9-12/h3-5,8-9H,1-2,6-7,10-11H2

Upstream product

• 629-03-8 1 ,6-dibromohexane 
• 62-53-3 aniline 
• 111-49-9 hexamethylene imine 
• 629-11-8 1,6-hexanediol 
• 58028-75-4 2-(Perhydroazepin-1-yl)benzaldehyd 
• 446-52-6 2-Fluorobenzaldehyde 
• 28493-41-6 N-chloroperhydroazepine 
• 71-43-2 benzene 
• 120238-37-1 N-(4-methoxyphenyl)perhydroazepine 
• 124-04-9 Adipic acid 
• 2451-84-5 dibenzyl adipate 
• 3195-37-7 diphenyl 1,6-hexanedioate 
• 20270-53-5 di-tert-butyl 1,6-hexanedioate 
• 627-93-0 hexanedioic acid dimethyl ester 

Downstream Products

• 19858-02-7 N-Phenylhexahydroazepin-2-on 
• 1221276-55-6 C₂₀H₂₂N₂O₂ 

Relevant articles and documents

Organic photoredox catalytic α-C(sp3)-H phosphorylation of saturated: Aza -heterocycles

A metal-free C(sp3)-H phosphorylation of saturated aza-heterocycles via the merger of organic photoredox and Br?nsted acid catalyses was established under mild conditions. This protocol provided straightforward and economic access to a variety of valuable α-phosphoryl cyclic amines by using commercially available diarylphosphine oxide reagents. In addition, the D-A fluorescent molecule DCQ was used for the first time as a photocatalyst and exhibited an excellent photoredox catalytic efficiency in this transformation. A series of mechanistic experiments and DFT calculations demonstrated that this transformation underwent a sequential visible light photoredox catalytic oxidation/nucleophilic addition process.

Catalyst-free photodecarbonylation ofortho-amino benzaldehyde

It is almost a consensus that decarbonylation of the aldehyde group (-CHO) needs to not only be mediated by transition metal catalysts, but also requires severe reaction conditions (high temperature and long reaction time). In this work, inspired by the “conformational-selectivity-based” design strategy, we broke this consensus and discovered a catalyst-free photodecarbonylation of the aldehyde group. It revealed that decarbonylation can be easily achieved with visible light irradiation by introducing a tertiary amine into theortho-position of the aldehyde group. A diverse array of tertiary amines is tolerated by our photodecarbonylation under mild conditions. Furthermore, the (QM) computations of the mechanism and the experiments on well-designed special substrates revealed that our photodecarbonylation depends on the conformational specificity of the aldehyde group and tertiary amine, and occurs through an unusual [1,4]-H shift and a subsequent [1,3]-H shift.

Metal-Free Synthesis of N-Aryl-Substituted Azacycles from Cyclic Ethers Using POCl3

A facile method for the synthesis of N-aryl-substituted azacycles from arylamines and cyclic ethers has been developed. In this study, arylamines were treated with cyclic ethers in the presence of POCl3 and DBU to provide five- A nd six-membered azacycles. Using this method, various azacycloalkanes, isoindolines, and tetrahydroisoquinolines were prepared in high yields. This synthetic method offers an efficient approach to the production of azacycles from cyclic ethers.