1-Butoxy-4-nitrobenzene

Base Information

• Chemical Name: 1-Butoxy-4-nitrobenzene
• CAS No.: 7244-78-2
• Molecular Formula: C10H13NO3
• Molecular Weight: 195.218
• Hs Code.: 2909309090
• European Community (EC) Number: 621-043-7
• NSC Number: 86583
• DSSTox Substance ID: DTXSID70222737
• Nikkaji Number: J208.103B
• Wikidata: Q83101054
• Mol file: 7244-78-2.mol

Synonyms:butyl-4-nitrophenyl ether;butyl-p-nitrophenyl ether

Chemical Property of 1-Butoxy-4-nitrobenzene

Chemical Property:

• Vapor Pressure: 0.00127mmHg at 25°C
• Melting Point: 31 °C
• Refractive Index: 1.522
• Boiling Point: 308 °C at 760 mmHg
• Flash Point: 135.5 °C
• PSA: 55.05000
• Density: 1.116 g/cm³
• LogP: 3.29690
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: soluble in Methanol
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 195.08954328
• Heavy Atom Count: 14
• Complexity: 171

Purity/Quality:

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

1-Butoxy-4-nitrobenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCCOC1=CC=C(C=C1)[N+](=O)[O-]

Technology Process of 1-Butoxy-4-nitrobenzene

There total 16 articles about 1-Butoxy-4-nitrobenzene 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%

1-bromo-butane (109-65-9) + 4-nitro-phenol (100-02-7,78813-13-5,89830-32-0) → 1-butoxy-4-nitrobenzene (7244-78-2)

Guidance literature:

With potassium carbonate; In acetone; for 40h; Heating;

Reference yield: 88.0%

4-chlorobenzonitrile (100-00-5) + butan-1-ol (71-36-3) → 1-butoxy-4-nitrobenzene (7244-78-2)

Guidance literature:

With potassium tert-butylate; In tetrahydrofuran; N,N-dimethyl-formamide; at 0 ℃; for 2h; Inert atmosphere;

DOI:10.1021/acs.joc.0c01250

Reference yield: 85.0%

4-nitro-phenol (100-02-7,78813-13-5,89830-32-0) → 1-butoxy-4-nitrobenzene (7244-78-2)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; for 3h; Reflux;

DOI:10.3390/molecules22081372

upstream raw materials:

1-bromo-butane

4-nitro-phenol

potassium 4-nitrophenolate

1-iodo-butane

Downstream raw materials:

2-Butoxy-α-chlor-5-nitrotoluol

ClHgC₆H₃(NO₂)OC₄H₉

4-nitro-phenol

C₃₂H₃₈N₄O₅

Refernces

• 1、 Ando, Shin,Tsuzaki, Marina,Ishizuka, Tadao. "Aryl Ether Syntheses via Aromatic Substitution Proceeding under Mild Conditions". . p. 11181 - 11189. Retrieved 2020/10/12.
• 2、 Godzwon, Joanna,Sienkowska, Monika J.,Galewski, Zbigniew. "Liquid-crystalline polymorphism of 4-heptyloxybenzylidene-4′- alkyloxyanilines and their phase equilibrium with 4-octyloxyphenyl 4-nitrobenzoate". scheme or table. p. 75 - 82. Retrieved 2012/04/04.