Ethanone, 1-(3-nitro-4-(pentyloxy)phenyl)-

Base Information

• Chemical Name: Ethanone, 1-(3-nitro-4-(pentyloxy)phenyl)-
• CAS No.: 134221-17-3
• Molecular Formula: C13H17NO4
• Molecular Weight: 251.2784
• DSSTox Substance ID: DTXSID10158602
• Nikkaji Number: J420.725D
• Wikidata: Q83026902

Synonyms:4-Amyloxy-3-nitroacetophenone;BRN 4810411;Ethanone, 1-(3-nitro-4-(pentyloxy)phenyl)-;134221-17-3;DTXSID10158602;1-(4-Pentoxy-3-nitrophenyl)ethanal;LS-67554

Chemical Property of Ethanone, 1-(3-nitro-4-(pentyloxy)phenyl)-

Chemical Property:

• Vapor Pressure: 1.23E-05mmHg at 25°C
• Boiling Point: 369°C at 760 mmHg
• Flash Point: 150.4°C
• Density: 1.127g/cm³
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 251.11575802
• Heavy Atom Count: 18
• Complexity: 287

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCOC1=C(C=C(C=C1)C(=O)C)[N+](=O)[O-]

Technology Process of Ethanone, 1-(3-nitro-4-(pentyloxy)phenyl)-

There total 1 articles about Ethanone, 1-(3-nitro-4-(pentyloxy)phenyl)- 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: 83.0%

4-pentyloxyacetophenone (5467-56-1) → 4-amyloxy-3-nitroacetophenone (134221-17-3)

Guidance literature:

With sulfuric acid; nitric acid; at -8 - -5 ℃; for 2h;

DOI:10.1007/BF00766563

Reference yield: 39.4%

4-amyloxy-3-nitroacetophenone (134221-17-3) + [1-[1-(4-Methoxy-3-nitro-benzyl)-1H-imidazol-2-yl]-meth-(E)-ylidene]-hydrazine (134221-15-1) → N-[1-[1-(4-Methoxy-3-nitro-benzyl)-1H-imidazol-2-yl]-meth-(E)-ylidene]-N'-[1-(3-nitro-4-pentyloxy-phenyl)-eth-(E)-ylidene]-hydrazine (134221-19-5)

Guidance literature:

In ethanol; for 5h;

DOI:10.1007/BF00766563

Reference yield: 30.0%

[1-(1-Benzyl-1H-imidazol-2-yl)-meth-(E)-ylidene]-hydrazine (134221-14-0) + 4-amyloxy-3-nitroacetophenone (134221-17-3) → N,N'-Bis-[1-(1-benzyl-1H-imidazol-2-yl)-meth-(E)-ylidene]-hydrazine (134221-21-9) + N-[1-(1-Benzyl-1H-imidazol-2-yl)-meth-(E)-ylidene]-N'-[1-(3-nitro-4-pentyloxy-phenyl)-eth-(E)-ylidene]-hydrazine (134221-18-4) + N,N'-Bis-[1-(3-nitro-4-pentyloxy-phenyl)-eth-(E)-ylidene]-hydrazine (134221-20-8)

Guidance literature:

In ethanol; for 5h;

DOI:10.1007/BF00766563

upstream raw materials:

4-pentyloxyacetophenone

Downstream raw materials:

N,N'-Bis-[1-(1-benzyl-1H-imidazol-2-yl)-meth-(E)-ylidene]-hydrazine

N-[1-(1-Benzyl-1H-imidazol-2-yl)-meth-(E)-ylidene]-N'-[1-(3-nitro-4-pentyloxy-phenyl)-eth-(E)-ylidene]-hydrazine

N,N'-Bis-[1-(3-nitro-4-pentyloxy-phenyl)-eth-(E)-ylidene]-hydrazine

N-[1-[1-(4-Methoxy-3-nitro-benzyl)-1H-imidazol-2-yl]-meth-(E)-ylidene]-N'-[1-(3-nitro-4-pentyloxy-phenyl)-eth-(E)-ylidene]-hydrazine

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