N-dodecyl-4-nitrobenzamide

Base Information

• Chemical Name: N-dodecyl-4-nitrobenzamide
• CAS No.: 64026-23-9
• Molecular Formula: C19H30N2O3
• Molecular Weight: 334.459
• DSSTox Substance ID: DTXSID30401440
• Wikidata: Q82204545
• Mol file: 64026-23-9.mol

Synonyms:N-dodecyl-4-nitrobenzamide;64026-23-9;SCHEMBL1853970;DTXSID30401440;LBMIQTNISHUWON-UHFFFAOYSA-N;AKOS003868779

Chemical Property of N-dodecyl-4-nitrobenzamide

Chemical Property:

• XLogP3: 5.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 12
• Exact Mass: 334.22564282
• Heavy Atom Count: 24
• Complexity: 347

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of N-dodecyl-4-nitrobenzamide

There total 13 articles about N-dodecyl-4-nitrobenzamide 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: 99.0%

n-Dodecylamine (124-22-1) + 4-nitro-benzoyl chloride (122-04-3) → N-dodecyl-p-nitrobenzamide (64026-23-9)

Guidance literature:

With pyridine; In toluene; at 80 ℃; for 3h; Inert atmosphere;

DOI:10.1002/chem.201000839

Reference yield:

n-Dodecylamine (124-22-1) + 4-nitrophenyl 4-nitrobenzoate (1037-31-6) + dodecylamine propionate (17448-65-6) → 4-nitro-phenol (100-02-7,78813-13-5,89830-32-0) + N-dodecyl-p-nitrobenzamide (64026-23-9)

Guidance literature:

In cyclohexane; at 25 ℃; Rate constant;

DOI:10.1021/jo00195a039

Reference yield:

4-nitrophenyl 4-nitrobenzoate (1037-31-6) + dodecylamine propionate (17448-65-6) → 4-nitro-phenol (100-02-7,78813-13-5,89830-32-0) + N-dodecyl-p-nitrobenzamide (64026-23-9)

Guidance literature:

In cyclohexane; at 25 ℃; Rate constant;

DOI:10.1021/jo00195a039

upstream raw materials:

n-Dodecylamine

phenyl 4-nitrobenzoate

dodecylamine propionate

4-methylphenyl 4-nitrobenzoate

Downstream raw materials:

N-dodecyl-4-aminobenzamide