N,N-Dibutylhexanamide

Base Information

• Chemical Name: N,N-Dibutylhexanamide
• CAS No.: 52868-51-6
• Molecular Formula: C14H29NO
• Molecular Weight: 227.39
• Hs Code.: 2924199090
• NSC Number: 195043
• DSSTox Substance ID: DTXSID60307789
• Nikkaji Number: J104.677B
• Wikidata: Q82055344
• Mol file: 52868-51-6.mol

Synonyms:N,N-Dibutylhexanamide;52868-51-6;Hexanamide, N,N-dibutyl-;N,N-Dibutyl caproamide;dibutyl hexanamide;NSC195043;Hexanamide,N-dibutyl-;SCHEMBL2478145;N,N-dibutyl-hexanoic acid amide;DTXSID60307789;UXSDBOJDRMUQDM-UHFFFAOYSA-N;NSC-195043

Chemical Property of N,N-Dibutylhexanamide

Chemical Property:

• Vapor Pressure: 0.00289mmHg at 25°C
• Boiling Point: 284.9°C at 760 mmHg
• Flash Point: 106°C
• PSA: 20.31000
• Density: 0.861g/cm³
• LogP: 3.99550
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 10
• Exact Mass: 227.224914549
• Heavy Atom Count: 16
• Complexity: 160

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCC(=O)N(CCCC)CCCC

Technology Process of N,N-Dibutylhexanamide

There total 3 articles about N,N-Dibutylhexanamide 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: 91.0%

dibutylamine (111-92-2) + hexanoic acid (142-62-1) → N,N-dibutylhexanamide (52868-51-6)

Guidance literature:

With dmap; triphenylphosphine; iodosodilactone; In chloroform; at 60 ℃; for 3h;

DOI:10.1021/ol301085v

Reference yield: 50.0%

dibutylamine (111-92-2) + hexanal (66-25-1) → N,N-dibutylhexanamide (52868-51-6)

Guidance literature:

With tert.-butylhydroperoxide; copper(l) chloride; In water; at 100 ℃; for 1h; Sealed tube; Inert atmosphere; Green chemistry;

DOI:10.1016/j.tetlet.2015.12.060

Reference yield:

hexanoic acid (142-62-1) → N,N-dibutylhexanamide (52868-51-6)

Guidance literature:

With tetrachlorosilane; benzene; und Behandeln des Reaktionsgemisches mit Dibutylamin;

upstream raw materials:

hexanoic acid

dibutylamine

hexanal

Refernces

• 1、 Tian, Jun,Gao, Wen-Chao,Zhou, Dong-Mei,Zhang, Chi. "Recyclable hypervalent iodine(III) reagent iodosodilactone as an efficient coupling reagent for direct esterification, amidation, and peptide coupling". supporting information; experimental part. p. 3020 - 3023. Retrieved 2012/08/07.