Heptanamide

Base Information

• Chemical Name: Heptanamide
• CAS No.: 628-62-6
• Molecular Formula: C7H15 N O
• Molecular Weight: 129.202
• NSC Number: 3819
• UNII: 6QX6H3415T
• DSSTox Substance ID: DTXSID50211886
• Nikkaji Number: J6.880B
• Wikidata: Q5894626
• Metabolomics Workbench ID: 147212
• ChEMBL ID: CHEMBL238502
• Mol file: 628-62-6.mol

Synonyms:Enanthamide;Enanthic acid amide;Heptamide;NSC 3819;

Chemical Property of Heptanamide

Chemical Property:

• Vapor Pressure: 0.0177mmHg at 25°C
• Melting Point: 96°C
• Refractive Index: 1.438
• Boiling Point: 254°C at 760 mmHg
• PKA: 16.75±0.40(Predicted)
• Flash Point: 110.9°C
• PSA: 43.09000
• Density: 0.891g/cm³
• LogP: 2.14240
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 129.115364102
• Heavy Atom Count: 9
• Complexity: 81

Purity/Quality:

97% ^*data from raw suppliers

HEPTANAMIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Chemical Classes: Solvents -> Amides (
• Canonical SMILES: CCCCCCC(=O)N

Technology Process of Heptanamide

There total 13 articles about Heptanamide 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: 88.0%

heptanal (111-71-7) → heptanenitrile (629-08-3) + heptanamide (628-62-6)

Guidance literature:

With [Ru(η⁶-C₆Me₆)Cl₂(tris(dimethylamino)phosphine)]; hydroxylamine hydrochloride; sodium hydrogencarbonate; In water; at 100 ℃; for 7h; Reagent/catalyst; Inert atmosphere; Sealed tube; Green chemistry;

DOI:10.1039/c3ra23195j

Reference yield: 37.8%

n-heptan1ol (111-70-6) → heptanenitrile (629-08-3) + heptanamide (628-62-6)

Guidance literature:

With ammonia; oxygen; In tert-Amyl alcohol; water; at 130 ℃; for 14h; under 3750.38 Torr; Overall yield = > 99 percent; Autoclave; High pressure;

DOI:10.1021/acscatal.0c00485

Reference yield:

heptanoic acid benzylamide (55917-07-2) → heptanamide (628-62-6) + benzylamine (100-46-9)

Guidance literature:

With phosphoric acid; ammonia; In ethylene glycol; at 145 ℃; for 5h;

DOI:10.1039/c4ra09065a

upstream raw materials:

7-amino-heptanoic acid lactam

heptanenitrile

1-heptanal oxime

heptanal

Downstream raw materials:

N-(2,2,3-trichloro-1-hydroxy-butyl)-heptanamide

hexan-1-amine

hexan-4-olide

hexanoic acid