2-Nitrophenyl octyl ether

Base Information

• Chemical Name: 2-Nitrophenyl octyl ether
• CAS No.: 37682-29-4
• Molecular Formula: C14H21NO3
• Molecular Weight: 251.326
• Hs Code.: 29093090
• European Community (EC) Number: 253-623-7
• UNII: 4NSH6FFF2H
• DSSTox Substance ID: DTXSID3068047
• Nikkaji Number: J141.090C
• Wikipedia: 1-(2-Nitrophenoxy)octane
• Wikidata: Q7031552
• Mol file: 37682-29-4.mol

Synonyms:2-nitrophenyl octyl ether;2-nitrophenyloctyl ether;o-NPOE

Chemical Property of 2-Nitrophenyl octyl ether

Chemical Property:

• Appearance/Colour: clear yellow liquid
• Vapor Pressure: 8.44E-05mmHg at 25°C
• Refractive Index: n20/D 1.508(lit.)
• Boiling Point: 351.2 °C at 760 mmHg
• Flash Point: 137.7 °C
• PSA: 55.05000
• Density: 1.043 g/cm³
• LogP: 4.85730
• Storage Temp.: Flammables area
• Solubility.: tetrahydrofuran: 0.1 g/mL, clear
• XLogP3: 5.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 8
• Exact Mass: 251.15214353
• Heavy Atom Count: 18
• Complexity: 228

Purity/Quality:

99%, ^*data from raw suppliers

2-Nitrophenyl octyl ether ^*data from reagent suppliers

Safty Information:

• Statements: 10
• Safety Statements: 23-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCCCCCCOC1=CC=CC=C1[N+](=O)[O-]
• General Description: 2-Nitrophenyl octyl ether (o-NPOE) is utilized as a membrane phase solvent in facilitated transport studies, particularly for investigating the influence of crown ether lipophilicity on the transport of guanidinium thiocyanate. Its role is critical in stabilizing the membrane and enabling efficient solute transport, with findings indicating that higher lipophilicity of crown ethers enhances flux and membrane stability. The transport process is diffusion-limited, involving continuous complexation and decomplexation within the membrane.

Technology Process of 2-Nitrophenyl octyl ether

There total 3 articles about 2-Nitrophenyl octyl 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:

1-bromo-octane (111-83-1) + 2-hydroxynitrobenzene (88-75-5,78813-12-4) → 2-nitrophenyl octyl ether (37682-29-4)

Guidance literature:

With potassium hydroxide; In butan-1-ol; for 10h; Heating;

Reference yield:

1-Iodooctane (629-27-6) + silver(I) 2-nitrophenoxide (86255-27-8) → 2-nitrophenyl octyl ether (37682-29-4)

Guidance literature:

With benzene;

Reference yield:

1-octyl p-toluenesulfonate (3386-35-4) + sodium o-nitrophenate (824-39-5) → 2-nitrophenyl octyl ether (37682-29-4)

Guidance literature:

With xylene;

upstream raw materials:

1-Iodooctane

silver(I) 2-nitrophenoxide

1-octyl p-toluenesulfonate

sodium o-nitrophenate

Downstream raw materials:

o-octyloxyaniline

4-iodo-2-nitro-1-octyloxy-benzene

5-imidazol-1-yl-2-octyloxy-phenylamine

1-(3-nitro-4-octyloxy-phenyl)-1H-imidazole

Refernces

Effect of Crown Ether Lipophilicity on the Facilitated Transport of Guanidinium Thiocyanate through an Immobilized Liquid Membrane

10.1021/ja00198a050

The research investigates the effect of crown ether lipophilicity on the facilitated transport of guanidinium thiocyanate through an immobilized liquid membrane. The study aims to understand how the water solubility and lipophilicity of crown ethers influence the transport efficiency and membrane stability. Key chemicals used include substituted benzo crown ethers and dibenzo crown ethers, guanidinium thiocyanate, and o-nitrophenyl octyl ether (NPOE) as the membrane phase solvent. The researchers found that more lipophilic crown ethers resulted in higher flux and more stable membranes. They developed a thermodynamic model to interpret the observed fluxes, accounting for partition coefficients and complexation constants. The study concludes that both the partition coefficient of the crown ether and the complexation constant significantly affect the transport rate, and the transport process is diffusion-limited with continuous complexation and decomplexation occurring during diffusion through the membrane.

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