54060-31-0

Basic information

• Product Name: 1,3-bis(3-nitrophenoxy)benzene
• Synonyms: 1,3-bis(3-nitrophenoxy)benzene;Benzene, 1,3-bis(3-nitrophenoxy)-;Einecs 258-945-1
• CAS NO: 54060-31-0
• Molecular Formula: C₁₈H₁₂N₂O₆
• Molecular Weight: 352.29768
• EINECS: 258-945-1
• Mol File: 54060-31-0.mol

Chemical Properties

• Boiling Point: 489.8°Cat760mmHg
• Flash Point: 202.2°C
• Appearance: /
• Density: 1.385g/cm³
• Vapor Pressure: 2.91E-09mmHg at 25°C
• Refractive Index: 1.645
• CAS DataBase Reference: 1,3-bis(3-nitrophenoxy)benzene(CAS DataBase Reference)
• NIST Chemistry Reference: 1,3-bis(3-nitrophenoxy)benzene(54060-31-0)
• EPA Substance Registry System: 1,3-bis(3-nitrophenoxy)benzene(54060-31-0)

Safety Data

• Hazardous Substances Data: 54060-31-0(Hazardous Substances Data)

Usage

Type of compound

Nitro-substituted compound

Usage

Production of industrial and pharmaceutical products

Physical state

Pale yellow crystalline solid

Molecular weight

340.29 g/mol

Application

Building block in organic synthesis

Role

Precursor in the synthesis of functional materials (liquid crystals, molecular semiconductors)

Hazardous nature

Potentially irritant and toxic

Safety precautions

Handle with caution

InChI:InChI=1/C18H12N2O6/c21-19(22)13-4-1-6-15(10-13)25-17-8-3-9-18(12-17)26-16-7-2-5-14(11-16)20(23)24/h1-12H

Upstream product

• 554-84-7 meta-nitrophenol 
• 585-79-5 m-nitrobromobenzene 
• 6025-45-2 disodium resorcinolate 
• 99-65-0 meta-dinitrobenzene 
• 108-46-3 recorcinol 

Downstream Products

• 10526-07-5 1,3-bis (3-aminophenoxy)-benzene 

Relevant articles and documents

Method for synthesizing 1,3-bis(3-aminophenoxy)benzene

The invention discloses a method for synthesizing 1,3-bis(3-aminophenoxy)benzene, and belongs to the field of organic compound synthesis. The method comprises the following steps: carrying out water separation on m-dinitrobenzene used as a raw material in a mixed solvent, adding anhydrous potassium carbonate, dropwise adding a resorcinol solution under the protection of nitrogen to obtain an intermediate 1,3-bis(3-nitrophenoxy)benzene, and hydrogenating the intermediate to obtain the target product 1,3-bis(3-aminophenoxy)benzene. The target product 1,3-bis(3 aminophenoxy)benzene obtained in the invention has a purity of 99% or above, a white to an off-white color and a total yield of 80% or above. Compared with existing synthesis methods, the synthesis method in the invention has the advantages of easy availability of raw materials, no catalyst, low cost, high economical property, and easiness in realizing industrialized production.

Isolation method of 1,3-bis(3-nitrophenoxy)benzene

[PROBLEM TO BE SOLVED]: To provide a method for isolating in a good performance 1,3-bis(3-nitrophenoxy)benzene containing slightly inorganic ion (especially, sodium ion and bromine ion) from reaction liquid which is obtained by reacting resorcin sodium salt with m-bromobenzene in the presence of copper(I) catalyst in pyridine solvent. [SOLUTION]: The method for isolating 1,3-bis(3-nitrophenoxy)benzene is characterized by diluting with esteric solvent after concentrating the above-mentioned reaction liquid, followed by concentrating after filtrating inorganic salt, and by collecting the crystal obtained by adding an alcoholic solvent to the concentrated liquid.

Studies on Selective Nucleophilic Substitution Reactions of + PF6- Complexes (M = Fe, Ru)

Reactions of + PF6- complexes (M = Fe, Ru) with phenoxide nucleophiles were found to proceed with excellent selectivity under mild conditions to give products of monosubstitution.Using aminophenoxides, a preference for O-arylation was observed, while amino alcohols such as prolinol react selectively on nitrogen.Methodology for sequential selective displacement of both chlorides by different nucleophiles is reported.