N-(2-Nitro-4-octylphenyl)acetamide

Base Information

• Chemical Name: N-(2-Nitro-4-octylphenyl)acetamide
• CAS No.: 102040-43-7
• Molecular Formula: C16H24N2O3
• Molecular Weight: 292.378
• DSSTox Substance ID: DTXSID90559638
• Wikidata: Q82442410
• Mol file: 102040-43-7.mol

Synonyms:102040-43-7;N-(2-NITRO-4-OCTYLPHENYL)ACETAMIDE;SCHEMBL7959728;DTXSID90559638

Chemical Property of N-(2-Nitro-4-octylphenyl)acetamide

Chemical Property:

• XLogP3: 5.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 8
• Exact Mass: 292.17869263
• Heavy Atom Count: 21
• Complexity: 328

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCCCCCC1=CC(=C(C=C1)NC(=O)C)[N+](=O)[O-]

Technology Process of N-(2-Nitro-4-octylphenyl)acetamide

There total 2 articles about N-(2-Nitro-4-octylphenyl)acetamide 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%

N-(4-octylphenyl)acetamide (37593-11-6) → n-octyl-4 nitro-2 acetanilide (102040-43-7)

Guidance literature:

With nitric acid; acetic anhydride; acetic acid; at -15 - 0 ℃; for 3h;

DOI:10.1016/j.bmcl.2004.07.030

Reference yield:

4-octylaniline (16245-79-7) → n-octyl-4 nitro-2 acetanilide (102040-43-7)

Guidance literature:

Multi-step reaction with 2 steps

1: 100 percent / 1 h / 20 °C

2: 100 percent / HNO₃; HOAc; Ac₂O / 3 h / -15 - 0 °C

With nitric acid; acetic anhydride; acetic acid;

DOI:10.1016/j.bmcl.2004.07.030

Reference yield: 84.0%

n-octyl-4 nitro-2 acetanilide (102040-43-7) → n-octyl-4 nitro-2 aniline (102040-42-6)

Guidance literature:

With potassium hydroxide; In ethanol; for 1h; Heating;

DOI:10.1016/j.bmcl.2004.07.030

upstream raw materials:

N-(4-octylphenyl)acetamide

4-octylaniline

Downstream raw materials:

n-octyl-4 nitro-2 aniline

diamino-1,2 n-octyl-4 benzene

[2-benzyloxy-1-(6-octyl-1H-benzoimidazol-2-yl)-propyl]-carbamic acid tert-butyl ester

[2-benzyloxy-1-(6-octyl-1H-benzoimidazol-2-yl)-ethyl]-carbamic acid tert-butyl ester

Refernces

• 1、 Clemens, Jeremy J.,Davis, Michael D.,Lynch, Kevin R.,Macdonald, Timothy L.. "Synthesis of benzimidazole based analogues of sphingosine-1-phosphate: Discovery of potent, subtype-selective S1P4 receptor agonists". . p. 4903 - 4906. Retrieved 2007/10/03.