p-Pentyloxynitrobenzene

Base Information

• Chemical Name: p-Pentyloxynitrobenzene
• CAS No.: 63469-11-4
• Molecular Formula: C11H15 N O3
• Molecular Weight: 209.245
• Hs Code.: 2909309090
• DSSTox Substance ID: DTXSID00212888
• Nikkaji Number: J1.828.603C
• Mol file: 63469-11-4.mol

Synonyms:4-nitrophenyl pent-1-yl ether;n-pent-1-yl 4-nitrophenyl ether

Chemical Property of p-Pentyloxynitrobenzene

Chemical Property:

• Vapor Pressure: 0.000516mmHg at 25°C
• Boiling Point: 322.8°C at 760 mmHg
• Flash Point: 136.8°C
• PSA: 55.05000
• Density: 1.093g/cm³
• LogP: 3.68700
• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 209.10519334
• Heavy Atom Count: 15
• Complexity: 183

Purity/Quality:

98%Min ^*data from raw suppliers

p-Pentyloxynitrobenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCOC1=CC=C(C=C1)[N+](=O)[O-]

Technology Process of p-Pentyloxynitrobenzene

There total 5 articles about p-Pentyloxynitrobenzene 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: 82.0%

[(4-nitrophenyl)(phenyl)iodonium trifluoromethanesulfonate] (905718-45-8) + pentan-1-ol (71-41-0) → 1-nitro-4-(pentyloxy)benzene (63469-11-4)

Guidance literature:

pentan-1-ol; With sodium hydride; In toluene; at 0 - 20 ℃; for 0.25h; Inert atmosphere;

[(4-nitrophenyl)(phenyl)iodonium trifluoromethanesulfonate]; In toluene; at 0 - 20 ℃; chemoselective reaction; Inert atmosphere;

DOI:10.1002/open.201402006

Reference yield: 52.0%

4-nitro-phenol (100-02-7,78813-13-5,89830-32-0) + 1-Bromopentane (110-53-2) → 1-nitro-4-(pentyloxy)benzene (63469-11-4)

Guidance literature:

With potassium hydroxide;

DOI:10.5012/bkcs.2012.33.5.1647

Reference yield:

4-nitro-phenol (100-02-7,78813-13-5,89830-32-0) + amyl iodide (628-17-1) → 1-nitro-4-(pentyloxy)benzene (63469-11-4)

Guidance literature:

With potassium hydroxide;

upstream raw materials:

4-nitro-phenol

amyl iodide

1-Bromopentane

potassium 4-nitrophenolate

Downstream raw materials:

4-pentyloxyaniline

p-p-di-n-pentyloxyazoxybenzene

4,4'-bis(pentyloxy)azoxybenzene

4-n-methoxy-1-naphthylidene-p-n-pentyloxyaniline