Nicotinamide, 2-anilino-N-ethyl-6-methyl-

Base Information

• Chemical Name: Nicotinamide, 2-anilino-N-ethyl-6-methyl-
• CAS No.: 78593-73-4
• Molecular Formula: C₁₅H₁₇N₃O
• Molecular Weight: 255.319
• DSSTox Substance ID: DTXSID10229189
• Nikkaji Number: J68.246B
• Mol file: 78593-73-4.mol

Synonyms:78593-73-4;Nicotinamide, 2-anilino-N-ethyl-6-methyl-;2-Anilino-N-ethyl-6-methylnicotinamide;BRN 5055784;2-(PHENYLAMINO)-N-ETHYL-6-METHYLNICOTINAMIDE;3-Pyridinecarboxamide, N-ethyl-6-methyl-2-(phenylamino)-;DTXSID10229189;LS-96376

Chemical Property of Nicotinamide, 2-anilino-N-ethyl-6-methyl-

Chemical Property:

• Vapor Pressure: 3.14E-07mmHg at 25°C
• Boiling Point: 419°Cat760mmHg
• Flash Point: 207.2°C
• PSA: 57.51000
• Density: 1.15g/cm³
• LogP: 3.53110
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 255.137162174
• Heavy Atom Count: 19
• Complexity: 289

Purity/Quality:

2-ANILINO-N-ETHYL-6-METHYLNICOTINAMIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCNC(=O)C1=C(N=C(C=C1)C)NC2=CC=CC=C2

Technology Process of Nicotinamide, 2-anilino-N-ethyl-6-methyl-

There total 2 articles about Nicotinamide, 2-anilino-N-ethyl-6-methyl- 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: 61.0%

2-Chloro-6-methylnicotinic acid ethylamide (78593-69-8) + aniline (62-53-3) → N-Ethyl-6-methyl-2-phenylamino-nicotinamide (78593-73-4)

Guidance literature:

In acetic acid; for 6h; Heating;

DOI:10.1007/BF00762897

Reference yield:

2-chloro-6-methyl-nicotinic acid chloride (39853-81-1) → N-Ethyl-6-methyl-2-phenylamino-nicotinamide (78593-73-4)

Guidance literature:

Multi-step reaction with 2 steps

1: 44 percent / Et₃N / diethyl ether / 12 h

2: 61 percent / aq. acetic acid / 6 h / Heating

With triethylamine; In diethyl ether; acetic acid;

DOI:10.1007/BF00762897

upstream raw materials:

2-Chloro-6-methylnicotinic acid ethylamide

aniline

2-chloro-6-methyl-nicotinic acid chloride