N-Ethylnicotinamide

Base Information

• Chemical Name: N-Ethylnicotinamide
• CAS No.: 4314-66-3
• Molecular Formula: C8H10 N2 O
• Molecular Weight: 150.18
• Hs Code.: 2933399090
• European Community (EC) Number: 224-331-7
• NSC Number: 62008
• UNII: 1G18T31MNW
• DSSTox Substance ID: DTXSID10195719
• Nikkaji Number: J68.271C
• Wikidata: Q83068763
• Mol file: 4314-66-3.mol

Synonyms:N-ethylnicotinamide

Chemical Property of N-Ethylnicotinamide

Chemical Property:

• Vapor Pressure: 4.07E-05mmHg at 25°C
• Melting Point: 50 °C
• Boiling Point: 351.6°Cat760mmHg
• Flash Point: 166.4°C
• PSA: 41.99000
• Density: 1.076g/cm³
• LogP: 1.22220
• Storage Temp.: Inert atmosphere,Room Temperature
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 150.079312947
• Heavy Atom Count: 11
• Complexity: 136

Purity/Quality:

97% ^*data from raw suppliers

N-Ethylnicotinamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCNC(=O)C1=CN=CC=C1
• Uses: N-Ethylnicotinamide is a derivative of Nicotinamide (N407750), which is a water-soluble vitamin and is part of the vitamin B group.

Technology Process of N-Ethylnicotinamide

There total 6 articles about N-Ethylnicotinamide 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: 77.0%

tryptamine (61-54-1) + ethylamine (75-04-7,85404-22-4) → N-ethyl-(3-pyridyl)formamide (4314-66-3)

Guidance literature:

In acetonitrile; for 12h;

DOI:10.1039/b306914a

Reference yield: 47.0%

→ N-ethyl-(3-pyridyl)formamide (4314-66-3)

Guidance literature:

Reference yield:

pyridine-3-carbonyl chloride hydrochloride (20260-53-1) + ethylamine (75-04-7,85404-22-4) → N-ethyl-(3-pyridyl)formamide (4314-66-3)

Guidance literature:

With pyridine; at 50 ℃; for 2h;

DOI:10.1021/jo00276a039

upstream raw materials:

nicotinamide

ethyl iodide

pyridine-3-carbonyl chloride hydrochloride

ethylamine

Downstream raw materials:

1,1'-o-xylylenebis<3-(N-ethylcarbamoyl)-1,4-dihydropyridine>

1,1'-m-xylylenebis<3-(N-ethylcarbamoyl)-1,4-dihydropyridine>

1,1'-p-xylylenebis<3-(N-ethylcarbamoyl)-1,4-dihydropyridine>

3-pyridinecarboxaldehyde