4,6-Dimethylnicotinamide

Base Information

• Chemical Name: 4,6-Dimethylnicotinamide
• CAS No.: 13061-58-0
• Molecular Formula: C₈H₁₀N₂O
• Molecular Weight: 150.18
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID30355853
• Nikkaji Number: J3.450.844E
• Wikidata: Q82134910
• Mol file: 13061-58-0.mol

Synonyms:4,6-dimethylnicotinamide;13061-58-0;4,6-dimethylpyridine-3-carboxamide;4,6-Dimethyl-nicotinamide;Nicotinamide, 4,6-dimethyl- (6CI,7CI,8CI);SCHEMBL5009904;DTXSID30355853;4,6-dimethylpyridine-3-carb-oxamide;AKOS002666147;EN300-236114;AC-907/34120009;F1957-0020

Chemical Property of 4,6-Dimethylnicotinamide

Chemical Property:

• PSA: 56.97000
• LogP: 1.68150
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 150.079312947
• Heavy Atom Count: 11
• Complexity: 158

Purity/Quality:

99% ^*data from raw suppliers

4,6-Dimethyl-nicotinamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=NC=C1C(=O)N)C

Technology Process of 4,6-Dimethylnicotinamide

There total 4 articles about 4,6-Dimethylnicotinamide 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: 83.0%

methanol (67-56-1) + 6-methylnicotinamide (6960-22-1) → 4,6-dimethyl-3-pyridinecarboxamide (13061-58-0)

Guidance literature:

With Ethyl 2-mercaptopropionate; (4,4'-di-tert-butyl-2,2'-dipyridyl)-bis-(2-phenylpyridine(-1H))-iridium(III) hexafluorophosphate; toluene-4-sulfonic acid; In dimethyl sulfoxide; at 23 ℃; UV-irradiation;

DOI:10.1038/nature14885

Reference yield:

3-cyano-4,6-dimethylpyridine (6623-21-8) → 4,6-dimethyl-3-pyridinecarboxamide (13061-58-0)

Guidance literature:

With ammonium hydroxide; ethanol; dihydrogen peroxide;

Reference yield:

ethyl 4,6-dimethylpyridine-3-carboxylate (46174-51-0) → 4,6-dimethyl-3-pyridinecarboxamide (13061-58-0)

Guidance literature:

In ammonium hydroxide; for 24h; Ambient temperature;

upstream raw materials:

3-cyano-4,6-dimethylpyridine

ethyl 4,6-dimethylpyridine-3-carboxylate

methanol

6-methylnicotinamide

Downstream raw materials:

1-(2,6-dichloro-benzyl)-4,6-dimethyl-1,2-dihydro-pyridine-3-carboxylic acid amide

3-carbamoyl-1-(2,6-dichlorobenzyl)-4,6-dimethylpyridinium bromide