N-hexadecylbenzamide

Base Information

• Chemical Name: N-hexadecylbenzamide
• CAS No.: 82684-41-1
• Molecular Formula: C23H39NO
• Molecular Weight: 345.569
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID60391446
• Nikkaji Number: J213.527B
• Wikidata: Q82188914
• Mol file: 82684-41-1.mol

Synonyms:N-hexadecylbenzamide;82684-41-1;Benzamide, N-hexadecyl-;SCHEMBL982209;DTXSID60391446;AKOS003418574;DS-3852;SB83523;CS-0152193;FT-0689218;C76647

Chemical Property of N-hexadecylbenzamide

Chemical Property:

• PSA: 29.10000
• LogP: 7.28860
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 7.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 16
• Exact Mass: 345.303164868
• Heavy Atom Count: 25
• Complexity: 297

Purity/Quality:

97% ^*data from raw suppliers

N-Hexadecylbenzamide 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCCNC(=O)C1=CC=CC=C1

Technology Process of N-hexadecylbenzamide

There total 4 articles about N-hexadecylbenzamide 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: 93.0%

hexadecylamine (143-27-1) + benzoyl chloride (98-88-4) → N-hexadecylbenzamide (82684-41-1)

Guidance literature:

With triethylamine; In dichloromethane; at 0 - 20 ℃; Inert atmosphere;

DOI:10.1016/j.tetlet.2011.06.031

Reference yield: 85.0%

hexadecylamine (143-27-1) + benzoic acid (65-85-0,8013-63-6) → N-hexadecylbenzamide (82684-41-1)

Guidance literature:

benzoic acid; With 1-[(1-(cyano-?2-?ethoxy-?2-?oxoethylidenaminooxy)?dimethylamino-?morpholino)]-uronium hexafluorophosphate; In dichloromethane; acetonitrile; at 20 ℃; for 0.166667h; Inert atmosphere;

With N-ethyl-N,N-diisopropylamine; In dichloromethane; acetonitrile; for 0.5h; Inert atmosphere;

hexadecylamine; In dichloromethane; acetonitrile; at 20 ℃; Inert atmosphere;

DOI:10.1016/j.bmc.2016.12.042

Reference yield: 58.0%

hexadecylamine (143-27-1) + benzamide (55-21-0,27208-38-4) → N-hexadecylbenzamide (82684-41-1)

Guidance literature:

With nanosized zeolite beta; In neat (no solvent); at 135 ℃; for 24h;

DOI:10.1016/j.catcom.2016.04.004

upstream raw materials:

hexadecylamine

benzaldehyde

benzoyl chloride

benzamide

Downstream raw materials:

1,3-bis(benzyl(hexadecyl)amino)propan-2-ol

1,3-bis(benzyl(hexadecyl)amino)propan-2-yl 2-(trimethylammonio)ethyl phosphate

benzyl 1,3-bis(benzyl(hexadecyl)amino)propan-2-yl 2-bromoethyl phosphate

2-{3-(benzyl-hexadecyl-amino)-1-[2-(benzyl-hexadecyl-amino)-ethyl]-propyl}-malonic acid diethyl ester