204078-31-9

Basic information

• Product Name: 3-MORPHOLIN-4-YLBENZONITRILE
• Synonyms: 3-MORPHOLIN-4-YLBENZONITRILE;4-(3-Cyanophenyl)morpholine;3-(4-Morpholinyl)Benzonitrile;3-morpholinobenzonitrile;3-(Morpholin-4-yl)benzonitrile97%
• CAS NO: 204078-31-9
• Molecular Formula: C₁₁H₁₂N₂O
• Molecular Weight: 188.23
• Product Categories: pharmacetical
• Mol File: 204078-31-9.mol
• Article Data: 21

Chemical Properties

• Melting Point: 240 °C
• Boiling Point: 352.6°C at 760 mmHg
• Flash Point: 167°C
• Appearance: /
• Density: 1.17g/cm³
• Vapor Pressure: 3.8E-05mmHg at 25°C
• Refractive Index: 1.583
• Storage Temp.: Sealed in dry,Room Temperature
• PKA: 3.15±0.40(Predicted)
• CAS DataBase Reference: 3-MORPHOLIN-4-YLBENZONITRILE(CAS DataBase Reference)
• NIST Chemistry Reference: 3-MORPHOLIN-4-YLBENZONITRILE(204078-31-9)
• EPA Substance Registry System: 3-MORPHOLIN-4-YLBENZONITRILE(204078-31-9)

Safety Data

• Hazardous Substances Data: 204078-31-9(Hazardous Substances Data)

Usage

General Description

3-Morpholin-4-ylbenzonitrile, also known as 3-(4-Morpholinyl)benzonitrile, is a chemical compound with the molecular formula C13H13N3O. It is a yellow to light brown crystalline powder that is insoluble in water. 3-MORPHOLIN-4-YLBENZONITRILE is commonly used as a building block in the synthesis of various pharmaceuticals and organic compounds. It is also used as an intermediate in the production of dyes, pigments, and other specialty chemicals. 3-Morpholin-4-ylbenzonitrile is known for its reactivity and versatility, making it a valuable tool in the chemical industry. However, it should be handled with caution due to its potential hazards and health risks.

InChI:InChI=1/C11H12N2O/c12-9-10-2-1-3-11(8-10)13-4-6-14-7-5-13/h1-3,8H,4-7H2

Upstream product

• 110-91-8 morpholine 
• 766-84-7 3-chloro-benzonitrile 
• 873-62-1 m-cyanophenol 
• 623-03-0 4-Cyanochlorobenzene 
• 105942-10-7 3-fluoro-4-formylbenzonitrile 
• 23328-69-0 4-chloromorpholine 
• 476167-07-4 NCC₆H₄ZnBr 
• 6952-59-6 3-cyanobromobenzene 
• 5765-65-1 4-(benzoyloxy)morpholine 
• 1393640-41-9 C₂₁H₁₂B₃N₃O₃ 
• 69113-59-3 3-iodobenzonitrile 
• 403-54-3 m-Fluorobenzonitrile 

Downstream Products

• 221876-07-9 3-morpholinobenzoyl chloride 
• 250681-52-8 N-(3-nitro-4-methylphenyl)-3-morpholinobenzamide 
• 215309-00-5 3-(4-morpholinyl)benzoic acid 

Relevant articles and documents

Amination of Aryl Halides Mediated by Electrogenerated Nickel from Sacrificial Anode

Electrochemical C(sp2)?N couplings mediated by nickel salts generated from the sacrificial anode has been described for the first time. In this approach, the sacrificial nickel anode is employed as the sole source of nickel and the process, operationally simple to set up, enables the preparation of functionalized arylamine derivatives with moderate to good yields, under mild reaction conditions and without additional ligand. A cooperative process between the two electrodes is involved in the proposed mechanism.

Photo-induced dealdehyding method

The invention provides a photo-induced dealdehyding method, and belongs to the technical field of organic synthesis. The photo-induced dealdehyding method comprises the following steps that a mixtureof a compound shown in the formula I and a solvent are reacted under an inert gas atmosphere and visible light irradiation, a dealdehyding product is obtained, and no photocatalyst is used in the whole process; wherein the structural formula of the formula I shown in the specification, R is a functional group and is selected from hydrogen, methyl, methoxyl, cyano, chlorine, bromine or fluorine. According to the photo-induced dealdehyding method, in the inert gas atmosphere, the compound shown in the formula (I) can be excited to generate carbon-oxygen bond homogeneous cracking through visiblelight irradiation, then free radical migration and double bond displacement are conducted, finally carbon monoxide is removed, aldehyde group removal is completed, no photocatalyst is needed in the whole process, operation is easy and convenient, and conditions are mild.

Metal-free Synthesis of Aryl Amines: Beyond Nucleophilic Aromatic Substitution

A mild and metal-free approach to C?N coupling is described that employs diaryliodonium salt electrophiles and secondary aliphatic amine nucleophiles. This reaction results in direct ipso-substitution of the iodonium moiety and unsymmetrical aryl(TMP)iodonium salts are primarily employed. Moreover, arene substituents and substitution patterns that currently pose a challenge to classical metal-free methods are accommodated and the alicyclic amine nucleophiles used here are unprecedented in other contemporary metal-free C?N coupling reactions.