N-Acetylhexanamide

Base Information

• Chemical Name: N-Acetylhexanamide
• CAS No.: 10601-70-4
• Molecular Formula: C8H15 N O2
• Molecular Weight: 157.213
• DSSTox Substance ID: DTXSID10147475
• Nikkaji Number: J1.549.123J
• Wikidata: Q83012799
• Mol file: 10601-70-4.mol

Synonyms:N-ACETYLHEXANAMIDE;10601-70-4;SCHEMBL18746215;DTXSID10147475

Chemical Property of N-Acetylhexanamide

Chemical Property:

• Vapor Pressure: 0.00935mmHg at 25°C
• Boiling Point: 265.1°Cat760mmHg
• Flash Point: 110°C
• Density: 0.96g/cm³
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 157.110278721
• Heavy Atom Count: 11
• Complexity: 143

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCC(=O)NC(=O)C

Technology Process of N-Acetylhexanamide

There total 3 articles about N-Acetylhexanamide 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: 57.0%

2-bromohexanoic acid (616-05-7) + acetonitrile (75-05-8,26809-02-9) → 2,4,6-trimethyl-s-triazine (823-94-9) + hexanenitrile (628-73-9) + N-acetylacetamide (625-77-4) + N-acetylcapramide (10601-70-4) + acetic acid (64-19-7,77671-22-8) + hexanoic acid (142-62-1)

Guidance literature:

at 200 ℃; for 2h; 2-iodocaproic acid, 2-bromo-2-phenylacetic acid;

DOI:10.1007/BF00957883

Reference yield:

N-hexylacetamide (7501-79-3) → N-acetylcapramide (10601-70-4) + hexanoic acid (142-62-1) + valeric acid (109-52-4)

Guidance literature:

With N-hydroxyphthalimide; oxygen; cobalt(II) acetate; In acetonitrile; at 80 ℃; for 4h; Title compound not separated from byproducts.;

DOI:10.1021/jo016398e

Reference yield:

N-hexylacetamide (7501-79-3) → N-acetylcapramide (10601-70-4) + hexanoic acid (142-62-1)

Guidance literature:

With dihydrogen peroxide; bromine; In 1,2-dichloro-ethane; at 20 ℃; for 3h;

DOI:10.1039/b008965f

upstream raw materials:

2-bromohexanoic acid

acetonitrile

N-hexylacetamide

Refernces

• 1、 Bjorsvik,Fontana,Liguori,Minisci. "A bromine-catalysed free-radical oxidation of acetamides from primary and secondary alkylamines by H2O2". . p. 523 - 524. Retrieved 2007/10/03.