113344-23-3

Basic information

• Product Name: 4-(2-Nitrophenoxy)benzonitrile
• Synonyms: 4-(2-Nitrophenoxy)benzonitrile
• CAS NO: 113344-23-3
• Molecular Formula: C₁₃H₈N₂O₃
• Molecular Weight: 240.21422
• Mol File: 113344-23-3.mol
• Article Data: 4

Chemical Properties

• Boiling Point: 386.2±27.0 °C(Predicted)
• Appearance: /
• Density: 1.34±0.1 g/cm3(Predicted)
• Storage Temp.: 2-8°C
• CAS DataBase Reference: 4-(2-Nitrophenoxy)benzonitrile(CAS DataBase Reference)
• NIST Chemistry Reference: 4-(2-Nitrophenoxy)benzonitrile(113344-23-3)
• EPA Substance Registry System: 4-(2-Nitrophenoxy)benzonitrile(113344-23-3)

Safety Data

• Hazardous Substances Data: 113344-23-3(Hazardous Substances Data)

Usage

General Description

4-(2-Nitrophenoxy)benzonitrile is a chemical compound with the molecular formula C13H8N2O3. It is a nitrile derivative of 2-nitrophenoxybenzene, and is often used in organic synthesis as a building block for various pharmaceuticals and agrochemicals. 4-(2-Nitrophenoxy)benzonitrile is also used in the manufacturing of dyes and pigments. It is a pale yellow solid at room temperature and is insoluble in water but soluble in organic solvents. 4-(2-Nitrophenoxy)benzonitrile is a hazardous chemical and should be handled with care in a controlled laboratory setting.

Upstream product

• 767-00-0 4-cyanophenol 
• 1493-27-2 ortho-nitrofluorobenzene 
• 623-00-7 4-bromobenzenecarbonitrile 
• 88-75-5 2-hydroxynitrobenzene 
• 528-29-0 1,2-Dinitrobenzene 

Downstream Products

• 30202-92-7 4-(2-aminophenoxy)benzonitrile 

Relevant articles and documents

Discovery of Benzamidine- And 1-Aminoisoquinoline-Based Human MAS-Related G-Protein-Coupled Receptor X1 (MRGPRX1) Agonists

Mas-related G-protein-coupled receptor X1 (MRGPRX1) is a human sensory neuron-specific receptor and has been actively investigated as a therapeutic target for the treatment of pain. By use of two HTS screening hit compounds, 4-(4-(benzyloxy)-3-methoxybenzylamino)benzimidamide (5a) and 4-(2-(butylsulfonamido)-4-methylphenoxy)benzimidamide (11a), as molecular templates, a series of human MRGPRX1 agonists were synthesized and evaluated for their agonist activity using HEK293 cells stably transfected with human MrgprX1. Conversion of the benzamidine moiety into a 1-aminoisoquinoline moiety carried out in the later stage of structural optimization led to the discovery of a highly potent MRGPRX1 agonist, N-(2-(1-aminoisoquinolin-6-yloxy)-4-methylphenyl)-2-methoxybenzenesulfonamide (16), not only devoid of positively charged amidinium group but also with superior selectivity over opioid receptors. In mice, compound 16 displayed favorable distribution to the spinal cord, the presumed site of action for the MRGPRX1-mediated analgesic effects.

Room temperature Ullmann type C-O and C-S cross coupling of aryl halides with phenol/thiophenol catalyzed by CuO nanoparticles

C-O/C-S cross coupling of aryl halides with phenol or thiophenol was studied under ligand-free condition at room temperature over CuO nanocatalyst. The scope of the reaction was extended to various aryl halides and substituted phenols under optimized condition. In general, efficient, selective, and reusable heterogeneous nano CuO catalytic system has been developed for room temperature C-O and C-S Ullmann type cross coupling reactions.