1-(3-Methylphenoxy)-4-nitrobenzene

Base Information

• Chemical Name: 1-(3-Methylphenoxy)-4-nitrobenzene
• CAS No.: 2303-25-5
• Molecular Formula: C13H11 N O3
• Molecular Weight: 229.235
• Hs Code.: 2909309090
• DSSTox Substance ID: DTXSID40177583
• Nikkaji Number: J7.388A
• ChEMBL ID: CHEMBL2270118
• Mol file: 2303-25-5.mol

Synonyms:1-(3-methylphenoxy)-4-nitrobenzene;1-methyl-3-(4-nitrophenoxy)benzene;2303-25-5;Benzene, 1-methyl-3-(4-nitrophenyl)-;TOPE;Benzene, 1-methyl-3-(4-nitrophenoxy)-;Oprea1_351990;Ether, p-nitrophenyl m-tolyl;SCHEMBL4370814;CHEMBL2270118;3-Methyl-4'-nitro-diphenylather;DTXSID40177583;STK114079;AKOS001579603;CS-0205071;EU-0034220;SR-01000395499;SR-01000395499-1

Chemical Property of 1-(3-Methylphenoxy)-4-nitrobenzene

Chemical Property:

• Vapor Pressure: 0.000245mmHg at 25°C
• Boiling Point: 334.7°Cat760mmHg
• Flash Point: 142.2°C
• PSA: 55.05000
• Density: 1.218g/cm³
• LogP: 4.21870
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 229.07389321
• Heavy Atom Count: 17
• Complexity: 256

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=CC=C1)OC2=CC=C(C=C2)[N+](=O)[O-]

Technology Process of 1-(3-Methylphenoxy)-4-nitrobenzene

There total 10 articles about 1-(3-Methylphenoxy)-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: 100.0%

3-methyl-phenol (108-39-4) + 4-Fluoronitrobenzene (350-46-9,178603-76-4) → 3-methyl-4'-nitrodiphenyl ether (2303-25-5)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 60 ℃; for 2h;

Reference yield: 99.0%

3-methyl-phenol (108-39-4) + 4-chlorobenzonitrile (100-00-5) → 3-methyl-4'-nitrodiphenyl ether (2303-25-5)

Guidance literature:

With copper(l) iodide; 1-(dimethylamino-1-yl-pyridin-2-yl-methyl)naphthalen-2-ol; potassium carbonate; In dimethyl sulfoxide; at 120 ℃; for 24h; Green chemistry;

DOI:10.1080/00397911.2014.903421

Reference yield: 99.0%

3-methyl-phenol (108-39-4) + para-nitrophenyl bromide (586-78-7) → 3-methyl-4'-nitrodiphenyl ether (2303-25-5)

Guidance literature:

With copper(l) iodide; 1-(dimethylamino-1-yl-pyridin-2-yl-methyl)naphthalen-2-ol; potassium carbonate; In dimethyl sulfoxide; at 120 ℃; for 24h; Green chemistry;

DOI:10.1080/00397911.2014.903421

upstream raw materials:

3-methyl-phenol

4-Fluoronitrobenzene

4-chlorobenzonitrile

para-nitrophenyl bromide

Downstream raw materials:

4-(m-tolyloxy)aniline

3-(4-nitrophenoxy)benzoic acid

1-bromo-2-methyl-4-(4-nitrophenoxy)benzene

(3-methyl-4-nitro-phenyl)-(4-nitro-phenyl)-ether