N-Hexylhexanamide

Base Information

• Chemical Name: N-Hexylhexanamide
• CAS No.: 10264-29-6
• Molecular Formula: C12H25 N O
• Molecular Weight: 199.337
• NSC Number: 74558
• DSSTox Substance ID: DTXSID70145432
• Nikkaji Number: J1.096.138F
• Wikidata: Q83009986
• Mol file: 10264-29-6.mol

Synonyms:N-HEXYLHEXANAMIDE;Hexanamide, N-hexyl-;10264-29-6;Hexanamide, N-hexyl;NSC74558;NCIOpen2_000766;SCHEMBL2919233;DTXSID70145432;CKQIYVUVMRSSLI-UHFFFAOYSA-N;NSC 74558;NSC-74558;AKOS003860534;AS-79978;F86980

Chemical Property of N-Hexylhexanamide

Chemical Property:

• Vapor Pressure: 0.00359mmHg at 25°C
• Boiling Point: 281.3°C at 760 mmHg
• Flash Point: 167.4°C
• Density: 0.857g/cm³
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 9
• Exact Mass: 199.193614421
• Heavy Atom Count: 14
• Complexity: 134

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCNC(=O)CCCCC

Technology Process of N-Hexylhexanamide

There total 4 articles about N-Hexylhexanamide 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: 82.0%

hexan-1-amine (111-26-2) + N-(4-chlorophenyl)-N-hexanoyl-4-nitrobenzenesulfonamide → N-(n-hexyl)hexanamide (10264-29-6) + N-(4-chlorophenyl)-4-nitrobenzenesulfonamide (16937-03-4)

Guidance literature:

With potassium carbonate; In water; at 80 ℃; for 0.0833333h; Green chemistry;

DOI:10.1515/znb-2015-0076

Reference yield: 75.0%

hexanoic acid (142-62-1) → hexane (110-54-3) + hexan-1-amine (111-26-2) + dihexylamine (143-16-8) + Caproamide (628-02-4) + N-(n-hexyl)hexanamide (10264-29-6)

Guidance literature:

hexanoic acid; With cyclopentyl methyl ether; ammonia; at 200 ℃; under 4500.45 Torr; Sealed tube; Green chemistry;

With cyclopentyl methyl ether; ammonia; hydrogen; at 200 ℃; for 6.5h; under 42004.2 Torr; Cooling with ice; Green chemistry;

DOI:10.1039/d0gc01441a

Reference yield:

Hexyl isocyanate (2525-62-4,26746-07-6) + hexanoic acid (142-62-1) → N,N'-di-n-hexylurea (2763-88-4) + n-hexanoic anhydride (2051-49-2) + N-(n-hexyl)hexanamide (10264-29-6) + 1-hexanoyl-1,3-dihexyl-urea

Guidance literature:

magnesium(II) perchlorate; at 70 ℃; for 3h; Further Variations:; Catalysts; Product distribution;

DOI:10.1016/j.tetlet.2004.02.012

upstream raw materials:

hexan-1-amine

sodium cyanide

Hexyl isocyanate

hexanoic acid

Downstream raw materials:

dihexylamine

tri-n-hexylamine

hexan-1-ol

hexan-1-amine

Refernces

• 1、 Ebrahimi, Sara,Saiadi, Safoura,Dakhilpour, Simin,Mirsattari, Seyed Nezamoddin,Massah, Ahmad Reza. "N-Acyl-N-(4-chlorophenyl)-4-nitrobenzenesulfonamides: Highly selective and efficient reagents for acylation of amines in water". . p. 95 - 104. Retrieved 2016/04/26.
• 2、 Troyanskii, E. A.,Ioffe, V. A.,Mizintsev, V. V.,Nikishin, G. I.. "OXIDATIVE CYANATION OF AMINYL RADICALS IN SODIUM PEROXYDISULFATE - SODIUM CYANIDE SYSTEM". . p. 1661 - 1667. Retrieved 2007/10/02.