2-[(4-Nitrobenzyl)oxy]benzaldehyde

Base Information

• Chemical Name: 2-[(4-Nitrobenzyl)oxy]benzaldehyde
• CAS No.: 17490-72-1
• Molecular Formula: C14H11NO4
• Molecular Weight: 257.24100
• Hs Code.: 2913000090
• European Community (EC) Number: 658-179-1
• DSSTox Substance ID: DTXSID80352175
• Nikkaji Number: J1.421.969B
• Wikidata: Q82129189
• Mol file: 17490-72-1.mol

Synonyms:2-[(4-nitrobenzyl)oxy]benzaldehyde;17490-72-1;2-[(4-nitrophenyl)methoxy]benzaldehyde;2-((4-Nitrobenzyl)oxy)benzaldehyde;benzaldehyde, 2-[(4-nitrophenyl)methoxy]-;Cambridge id 5566707;Oprea1_393029;Oprea1_749841;SCHEMBL3686701;DTXSID80352175;BBL023105;MFCD01025493;STK796730;AKOS000249119;VS-07328;CS-0313678;FT-0683809;AB00089532-01

Chemical Property of 2-[(4-Nitrobenzyl)oxy]benzaldehyde

Chemical Property:

• Vapor Pressure: 2.52E-08mmHg at 25°C
• Boiling Point: 451oC at 760 mmHg
• Flash Point: 207.5oC
• PSA: 72.12000
• Density: 1.301g/cm3
• LogP: 3.50950
• Storage Temp.: 2-8°C
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 257.06880783
• Heavy Atom Count: 19
• Complexity: 307

Purity/Quality:

98%min ^*data from raw suppliers

2-[(4-Nitrobenzyl)oxy]benzaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)C=O)OCC2=CC=C(C=C2)[N+](=O)[O-]

Technology Process of 2-[(4-Nitrobenzyl)oxy]benzaldehyde

There total 2 articles about 2-[(4-Nitrobenzyl)oxy]benzaldehyde 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: 86.0%

salicylaldehyde (90-02-8) + 1-bromomethyl-4-nitro-benzene (100-11-8) → 2-(4-nitrobenzyloxy)benzaldehyde (17490-72-1)

Guidance literature:

With potassium hydroxide; In ethanol;

DOI:10.1246/bcsj.58.2192

Reference yield:

→ 2-(4-nitrobenzyloxy)benzaldehyde (17490-72-1)

Guidance literature:

Salicylaldehyd, p-Brommethylnitrobenzo;

Reference yield: 82.0%

2-(4-nitrobenzyloxy)benzaldehyde (17490-72-1) → 2-(4-nitrophenyl)-1-benzofurane (787-64-4)

Guidance literature:

With sodium methylate; In ethanol; Heating;

DOI:10.1246/bcsj.58.2192

upstream raw materials:

salicylaldehyde

1-bromomethyl-4-nitro-benzene

Downstream raw materials:

2-(4-nitrophenyl)-1-benzofurane

4-(benzofuran-2-yl)benzenamine

N-<4-(2-benzofuranyl)phenyl>maleamic acid

C₃₂H₄₀N₄O₅