N-Phenethyl-nicotinamide

Base Information

• Chemical Name: N-Phenethyl-nicotinamide
• CAS No.: 24303-08-0
• Molecular Formula: C14H14N2O
• Molecular Weight: 226.278
• DSSTox Substance ID: DTXSID00349926
• Nikkaji Number: J1.860.425F
• Wikidata: Q82125510
• ChEMBL ID: CHEMBL309848
• Mol file: 24303-08-0.mol

Synonyms:N-Phenethyl-nicotinamide;N-(2-phenylethyl)pyridine-3-carboxamide;N-phenethylnicotinamide;F3153-0436;24303-08-0;Oprea1_191848;Oprea1_693862;MLS000528939;N-benzyl-6-methyl nicotinamide;CHEMBL309848;SCHEMBL2129716;DTXSID00349926;HMS2315F21;STK051196;AKOS000671645;SMR000121414;SR-01000366829;SR-01000366829-1;Z27761594

Chemical Property of N-Phenethyl-nicotinamide

Chemical Property:

• PSA: 45.48000
• LogP: 2.62890
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 226.110613074
• Heavy Atom Count: 17
• Complexity: 236

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CCNC(=O)C2=CN=CC=C2

Technology Process of N-Phenethyl-nicotinamide

There total 9 articles about N-Phenethyl-nicotinamide 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: 96.0%

nicotinamide (98-92-0,1255150-40-3) + phenethylamine (64-04-0) → N-(2-phenylethyl)pyridine-3-carboxamide (24303-08-0)

Guidance literature:

With 1,2,3-Benzotriazole; In neat (no solvent); at 150 ℃; for 24h; Inert atmosphere;

DOI:10.3987/COM-13-S(S)41

Reference yield: 89.0%

3-pyridinecarboxylic acid ethyl ester (614-18-6) + phenethylamine (64-04-0) → N-(2-phenylethyl)pyridine-3-carboxamide (24303-08-0)

Guidance literature:

With 1-(3-sulfopropyl)pyridinium phosphotungstate; In neat (no solvent); at 140 ℃; for 0.666667h; Microwave irradiation;

DOI:10.1016/j.tetlet.2015.05.118

Reference yield: 77.0%

3-pyridinecarboxaldehyde (500-22-1) + phenethylamine (64-04-0) → N-(2-phenylethyl)pyridine-3-carboxamide (24303-08-0)

Guidance literature:

With tert.-butylhydroperoxide; 1-(3-sulfopropyl)pyridinium phosphotungstate; In water; at 90 ℃; for 20h; Sealed tube;

DOI:10.1039/c5ob02376a

upstream raw materials:

nicotinic acid

phenethylamine

3-pyridinecarbonyl chloride

2-phenylethylamine hydrochloride

Downstream raw materials:

1-methyl-3-(N-phenethylcarbamoyl)pyridinium iodide

N-phenethylpiperidine-3-carboxamide

1-benzyl-3-(N-phenethylcarbamoyl)pyridinium bromide

3-phenethylcarbamoyl-1-[(3-p-tolylcarbamoyl-phenylcarbamoyl)-methyl]-pyridinium chloride