1-Nitro-4-propoxybenzene

Base Information

• Chemical Name: 1-Nitro-4-propoxybenzene
• CAS No.: 7244-77-1
• Molecular Formula: C9H11NO3
• Molecular Weight: 181.191
• Hs Code.: 2909309090
• European Community (EC) Number: 230-650-2
• DSSTox Substance ID: DTXSID90993255
• Nikkaji Number: J212.258H
• Wikidata: Q82983858
• Mol file: 7244-77-1.mol

Synonyms:p-Nitrophenyl propyl ether;1-Nitro-4-propoxybenzene;7244-77-1;p-Propoxynitrobenzene;EINECS 230-650-2;p-nitrophenylpropylether;(p-nitrophenoxy)propane;4-nitrophenyl propyl ether;4-Nitrophenol, n-propyl ether;Benzene, 1-nitro-4-propoxy-;SCHEMBL4326273;DTXSID90993255;AKOS006243089;BS-29343;CS-0204810;FT-0693870;EN300-128112

Chemical Property of 1-Nitro-4-propoxybenzene

Chemical Property:

• Vapor Pressure: 0.00302mmHg at 25°C
• Refractive Index: 1.528
• Boiling Point: 293.5 °C at 760 mmHg
• Flash Point: 134.5 °C
• PSA: 55.05000
• Density: 1.144 g/cm³
• LogP: 2.90680
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 181.07389321
• Heavy Atom Count: 13
• Complexity: 159

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCOC1=CC=C(C=C1)[N+](=O)[O-]

Technology Process of 1-Nitro-4-propoxybenzene

There total 22 articles about 1-Nitro-4-propoxybenzene 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: 99.0%

1-allyloxy-4-nitrobenzene (1568-66-7) → 1-nitro-4-propoxybenzene (7244-77-1)

Guidance literature:

With hydrogen; palladium nanoparticles; In toluene; at 20 ℃; for 4h;

DOI:10.1016/j.tetlet.2007.09.121

Reference yield: 98.0%

1-allyloxy-4-nitrobenzene (1568-66-7) + 2-(4-(tert-butyl)phenyl)benzo[d][1,3,2]dioxaborole (241147-96-6) → para-tert-butylphenol (98-54-4) + 1-nitro-4-propoxybenzene (7244-77-1)

Guidance literature:

With oxygen; hydrazine hydrate; In acetonitrile; at 32 ℃; for 2.5h; under 760.051 Torr; Concentration; Schlenk technique;

DOI:10.1002/ejoc.201501222

Reference yield: 98.0%

1-allyloxy-4-nitrobenzene (1568-66-7) + p-tert-butylphenylboronic acid (123324-71-0) → para-tert-butylphenol (98-54-4) + 1-nitro-4-propoxybenzene (7244-77-1)

Guidance literature:

With oxygen; hydrazine hydrate; In acetonitrile; at 32 ℃; for 16h; under 760.051 Torr; Schlenk technique;

DOI:10.1002/ejoc.201501222

upstream raw materials:

propan-1-ol

para-methoxynitrobenzene

potassium 4-nitrophenolate

propyl bromide

Downstream raw materials:

4-propoxyaniline

N-Aethyl-p-propyloxyanilin

{4-[(4-propoxyphenyl)-ONN-azoxy]phenoxy}acetonitrile

{4-[(4-propoxyphenyl)-NNO-azoxy]phenoxy}acetonitrile

Refernces

• 1、 Liu, Zhilian,Yu, Zhenning,Zhang, Jian,Zhang, Shuxiang. "Properties of liquid crystals and Cu2+ recognition based on Schiff bases". . p. 11 - 19. Retrieved 2016/02/19.
• 2、 Pieber, Bartholom?us,Glasnov, Toma,Kappe, C. Oliver. "Continuous flow reduction of artemisinic acid utilizing multi-injection strategies - Closing the gap towards a fully continuous synthesis of antimalarial drugs". supporting information. p. 4368 - 4376. Retrieved 2015/03/14.