4-NITROPHENYL PHENYL ETHER

Base Information

• Chemical Name: 4-NITROPHENYL PHENYL ETHER
• CAS No.: 620-88-2
• Molecular Formula: C12H9 N O3
• Molecular Weight: 215.208
• Hs Code.: 2909309090
• European Community (EC) Number: 210-656-1
• NSC Number: 57080,5420
• UNII: 6SV296C6QI
• DSSTox Substance ID: DTXSID3022087
• Nikkaji Number: J31.994E
• Wikidata: Q27265468
• ChEMBL ID: CHEMBL2270114
• Mol file: 620-88-2.mol

Synonyms:Ether,p-nitrophenyl phenyl (6CI,7CI,8CI); 1-Nitro-4-phenoxybenzene; 4-Nitrodiphenylether; 4-Nitrophenyl phenyl ether; 4-Phenoxy-1-nitrobenzene;4-Phenoxynitrobenzene; NSC 5420; NSC 57080; RH 0211; p-Nitrodiphenyl ether;p-Nitrophenyl phenyl ether

Chemical Property of 4-NITROPHENYL PHENYL ETHER

Chemical Property:

• Appearance/Colour: yellow flakes
• Vapor Pressure: 1.36E-06mmHg at 25°C
• Melting Point: 53-56 °C(lit.)
• Refractive Index: 1.5750 (estimate)
• Boiling Point: 320 °C(lit.)
• Flash Point: >230 °F
• PSA: 55.05000
• Density: 1.12g/cm³
• LogP: 3.91030
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: soluble in Methanol
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 215.058243149
• Heavy Atom Count: 16
• Complexity: 225

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-Nitrodiphenyl Ether >98.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)OC2=CC=C(C=C2)[N+](=O)[O-]

Technology Process of 4-NITROPHENYL PHENYL ETHER

There total 82 articles about 4-NITROPHENYL PHENYL ETHER which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 98.0%

4-chlorobenzonitrile (100-00-5) + phenol (108-95-2,27073-41-2) → 4-nitrophenyl phenyl ether (620-88-2)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 110 ℃; for 12h;

DOI:10.1002/adsc.201000977

Reference yield: 95.0%

potassium phenolate (100-67-4) + 4-chlorobenzonitrile (100-00-5) → 4-nitrophenyl phenyl ether (620-88-2)

Guidance literature:

With 5,11,17,23,29,35-Hexa-p-tert-butyl-37,38,39,40,41,42-hexakis-(3,6,9-trioxadecyloxy)calix<6>arene; In water; chlorobenzene; at 130 ℃; for 7h;

DOI:10.1246/bcsj.68.3563

Reference yield: 95.0%

sodium phenoxide (139-02-6) + 4-chlorobenzonitrile (100-00-5) → 4-nitrophenyl phenyl ether (620-88-2)

Guidance literature:

N-neopentyl chloride of 4-dibutylaminopyridine; In chlorobenzene; Product distribution; Heating; in function of time with catalysts: N-2-ethylhexyl chloride of 4-dibutylaminopyridine, Bu₄PBr, 18-cr-6, Bu₄NBr;

DOI:10.1016/S0040-4039(01)91026-3

upstream raw materials:

para-dinitrobenzene

potassium phenolate

diphenylether

4-chlorobenzonitrile

Downstream raw materials:

1-(4-(4-nitrophenoxy)phenyl)ethanone

(4-(4-nitrophenoxy)phenyl)(phenyl)methanone

p-phenoxyacetanilide

N-cyclohexyl-4-(4-nitrophenoxy)benzenesulfonamide

Refernces

• 1、 Arora, Aayushi,Kaushal, Jolly,Kumar, Arun,Nautiyal, Divyanshu,Oswal, Preeti,Singh, Siddhant. "Suzuki?Miyaura coupling and O?arylation reactions catalysed by palladium(II) complexes of bulky ligands bearing naphthalene core, Schiff base functionality and biarylphosphine moiety". . . Retrieved 2022/01/19.
• 2、 Kikushima, Kotaro,Miyamoto, Naoki,Watanabe, Kazuma,Koseki, Daichi,Kita, Yasuyuki,Dohi, Toshifumi. "Ligand- and Counterion-Assisted Phenol O-Arylation with TMP-Iodonium(III) Acetates". supporting information. p. 1924 - 1928. Retrieved 2022/03/27.