1-Methoxy-4-[(4-nitrophenoxy)methyl]benzene

Base Information

• Chemical Name: 1-Methoxy-4-[(4-nitrophenoxy)methyl]benzene
• CAS No.: 31574-13-7
• Molecular Formula: C14H13 N O4
• Molecular Weight: 259.262
• NSC Number: 171060
• DSSTox Substance ID: DTXSID40305546
• Nikkaji Number: J896.009G
• Wikidata: Q82052202
• Mol file: 31574-13-7.mol

Synonyms:1-methoxy-4-[(4-nitrophenoxy)methyl]benzene;31574-13-7;NSC171060;SCHEMBL10651178;DTXSID40305546;FQWRHMAYPLRNJE-UHFFFAOYSA-N;NSC-171060

Chemical Property of 1-Methoxy-4-[(4-nitrophenoxy)methyl]benzene

Chemical Property:

• Vapor Pressure: 5.47E-07mmHg at 25°C
• Boiling Point: 423.5°Cat760mmHg
• Flash Point: 188.1°C
• Density: 1.234g/cm³
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 259.08445790
• Heavy Atom Count: 19
• Complexity: 276

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)COC2=CC=C(C=C2)[N+](=O)[O-]

Technology Process of 1-Methoxy-4-[(4-nitrophenoxy)methyl]benzene

There total 9 articles about 1-Methoxy-4-[(4-nitrophenoxy)methyl]benzene 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%

4-chlorobenzonitrile (100-00-5) + 4-Methoxybenzyl alcohol (105-13-5) → 1-methoxy-4-((4-nitrophenoxy)methyl)benzene (31574-13-7)

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: 96.0%

p-methylanizole (104-93-8) + 4-nitro-phenol (100-02-7,78813-13-5,89830-32-0) → 1-methoxy-4-((4-nitrophenoxy)methyl)benzene (31574-13-7)

Guidance literature:

With di-tert-butyl peroxide; 1,3-di-tert-butylimidazolium; at 130 ℃; for 24h; Green chemistry;

Reference yield: 90.0%

4-nitro-phenol (100-02-7,78813-13-5,89830-32-0) + p-methoxybenzyl chloride (824-94-2) → 1-methoxy-4-((4-nitrophenoxy)methyl)benzene (31574-13-7)

Guidance literature:

With tetra-(n-butyl)ammonium iodide; potassium carbonate; In tetrahydrofuran; for 4h; Reflux;

DOI:10.1021/jo301787v

upstream raw materials:

4-methoxybenzyl (4-nitrophenyl) carbonate

4-nitro-phenol

p-methoxybenzyl chloride

p-Methoxybenzyl bromide

Downstream raw materials:

4-(4-methoxybenzoxy)phenyl amine

4-nitro-phenol

ethyl p-methoxybenzyl sulfide

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