N,N-Diethyloctanamide

Base Information

• Chemical Name: N,N-Diethyloctanamide
• CAS No.: 996-97-4
• Molecular Formula: C12H25NO
• Molecular Weight: 199.337
• Hs Code.: 2924199090
• European Community (EC) Number: 213-639-7
• NSC Number: 3916
• UNII: FBO90A88T6
• DSSTox Substance ID: DTXSID5061372
• Nikkaji Number: J36.602A
• Wikidata: Q27277910
• Mol file: 996-97-4.mol

Synonyms:N,N-Diethyloctanamide;996-97-4;Octanamide, N,N-diethyl-;diethyl caprylamide;N,N-Diethyloctamide;N,N-Diethyloctylamide;Caprylic acid diethylamide;UNII-FBO90A88T6;FBO90A88T6;NSC 3916;NSC-3916;EINECS 213-639-7;AI3-31056;NSC3916;n,n-diethylcaprylamide;Octanamide,N-diethyl-;N,N -diethyloctanamide;N,N-diethyl octanamide;REPELLENT 790;SCHEMBL143983;DTXSID5061372;N,N-diethyl-octanoic acid amide;DIETHYL CAPRYLAMIDE [INCI];AKOS003859304;FT-0659793;W-111709;Q27277910

Chemical Property of N,N-Diethyloctanamide

Chemical Property:

• Appearance/Colour: colorless transparent liquid
• Vapor Pressure: 0.0128mmHg at 25°C
• Refractive Index: 1.444
• Boiling Point: 259.6 °C at 760 mmHg
• PKA: -0.40±0.70(Predicted)
• Flash Point: 97.1 °C
• PSA: 20.31000
• Density: 0.862 g/cm³
• LogP: 3.21530
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 8
• Exact Mass: 199.193614421
• Heavy Atom Count: 14
• Complexity: 141

Purity/Quality:

99% ^*data from raw suppliers

N,N-Diethyloctanamide 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCC(=O)N(CC)CC
• Uses: N,N-Diethyloctanamide can be used in heavy metal wastewater treatment.

Technology Process of N,N-Diethyloctanamide

There total 12 articles about N,N-Diethyloctanamide 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: 98.0%

Octanoic acid (124-07-2) + N,N-diethylcarbamyl chloride (88-10-8) → N,N-diethyloctanamide (996-97-4)

Guidance literature:

With triethylamine; at 20 ℃; for 0.333333h;

Reference yield: 89.0%

2,2,6,6-tetramethyl-piperidine (768-66-1) + Octanoic acid (124-07-2) → N,N-diethyloctanamide (996-97-4)

Guidance literature:

With ethanaminium,N-(difluoro-λ⁴-sulfanylidene)-N-ethyl-,tetrafluoroborate; In tetrahydrofuran; at 0 - 20 ℃; for 4h; Inert atmosphere; Cooling with ice;

DOI:10.1021/ol400045d

Reference yield: 85.0%

Octanoic acid (124-07-2) + diallylamine (124-02-7) → N,N-diethyloctanamide (996-97-4) + N,N-diallyloctanamide (141192-60-1)

Guidance literature:

With ethanaminium,N-(difluoro-λ⁴-sulfanylidene)-N-ethyl-,tetrafluoroborate; In tetrahydrofuran; at 0 - 20 ℃; for 4h;

DOI:10.1021/ol400045d

upstream raw materials:

diethylamine

n-octanoic acid chloride

N,N-diethyl-2-(dimethylsulfuranylidene)acetamide

Trihexylboran; Tri-n-hexylbor

Downstream raw materials:

octanol

Octanal

Refernces

• 1、 Orliac, Aurélie,Gomez Pardo, Domingo,Bombrun, Agnès,Cossy, Janine. "XtalFluor-E, an efficient coupling reagent for amidation of carboxylic acids". . p. 902 - 905. Retrieved 2013/03/29.
• 2、 Chen, Zheng-Wang,Jiang, Huan-Feng,Pan, Xiao-Yan,He, Zai-Jun. "Practical synthesis of amides from alkynyl bromides, amines, and water". experimental part. p. 5920 - 5927. Retrieved 2011/09/19.