3-(Aminomethyl)-4,6-dimethylpyridin-2(1H)-one

Base Information

• Chemical Name: 3-(Aminomethyl)-4,6-dimethylpyridin-2(1H)-one
• CAS No.: 771579-27-2
• Molecular Formula: C8H12 N2 O
• Molecular Weight: 152.196
• Hs Code.: 2933399090
• European Community (EC) Number: 846-950-7
• DSSTox Substance ID: DTXSID90427681
• Nikkaji Number: J3.545.548E
• Wikidata: Q82240338
• Mol file: 771579-27-2.mol

Synonyms:771579-27-2;3-(Aminomethyl)-4,6-dimethylpyridin-2(1H)-one;3-(aminomethyl)-4,6-dimethyl-1,2-dihydropyridin-2-one;3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;2(1H)-Pyridinone, 3-(aminomethyl)-4,6-dimethyl- (9CI);MFCD06213260;3-(aminomethyl)-4,6-dimethylpyridin-2-ol;3-(aminomethyl)-4,6-dimethyl-2(1H)-Pyridinone;2(1H)-Pyridinone,3-(aminomethyl)-4,6-dimethyl-;SCHEMBL1695218;SCHEMBL12499744;AMY3678;DTXSID90427681;PCJPGNCABBDNJU-UHFFFAOYSA-N;HMS1741L20;BCP07379;STL195461;STL484203;AKOS001137672;AKOS009028906;PB20152;BS-13480;SY023498;3-(aminomethyl)-4,6-lutidine-2(1H)-one;3-(aminomethyl)-4,6-di methylpyridin-2-ol;3-(aminomethyl)-4,6-dimethyl pyridin-2-ol;3-(aminomethyl)-4,6-dimethylpyridine-2-ol;CS-0008592;3-(aminomethyl)-4,6-dimethyl pyridine-2-ol;EN300-34346;J3.545.548E;3-(amino methyl)-4,6-dimethylpyridin-2(1H)-one;3-(aminomethyl)-4,6-dimethyl pyridin-2(1H)-one;3-(aminomethyl)-4,6-dimethyl-2 (1H)-pyridinone;3-(Aminomethyl)-4,6-dimethylpyridine-2(1H)-one;3-(amino methyl)-4, 6-dimethylpyridin-2(1H)-one;3-(amino methyl)-4,6-dimethylpyridin-2 (1H)-one;3-(aminomethyl)-4,6-dimethylpyridin-2(1h)-one, AldrichCPR

Chemical Property of 3-(Aminomethyl)-4,6-dimethylpyridin-2(1H)-one

Chemical Property:

• Boiling Point: 348.1±34.0 °C(Predicted)
• PKA: 12.40±0.10(Predicted)
• PSA: 59.14000
• Density: 1.054±0.06 g/cm3(Predicted)
• LogP: 1.56300
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: -0.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 152.094963011
• Heavy Atom Count: 11
• Complexity: 251

Purity/Quality:

97% ^*data from raw suppliers

3-(Aminomethyl)-4,6-dimethylpyridin-2(1H)-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C(=O)N1)CN)C

Technology Process of 3-(Aminomethyl)-4,6-dimethylpyridin-2(1H)-one

There total 8 articles about 3-(Aminomethyl)-4,6-dimethylpyridin-2(1H)-one 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: 100.0%

3-Cyano-4,6-dimethyl-2(1H)-pyridon (769-28-8) → 3-(aminomethyl)-4,6-dimethyl-1,2-dihydropyridin-2-one (771579-27-2)

Guidance literature:

3-Cyano-4,6-dimethyl-2(1H)-pyridon; With di-tert-butyl dicarbonate; hydrogen; In methanol; at 20 ℃; for 12h;

With acetyl chloride; In methanol; at 20 ℃; for 3h;

DOI:10.1021/acs.jmedchem.1c00460

Reference yield: 100.0%

3-cyano-2,4-dimethyl-2-hydroxypyridine → 3-(aminomethyl)-4,6-dimethyl-1,2-dihydropyridin-2-one (771579-27-2)

Guidance literature:

With ammonia; hydrogen; Raney Ni; In methanol;

Reference yield: 100.0%

2-hydroxy-4,6-dimethyl-3-carbonitrile (769-28-8,70254-47-6) → 3-(aminomethyl)-4,6-dimethylpyridin-2-ol (771579-27-2)

Guidance literature:

With ammonium hydroxide; hydrogen; In methanol;

DOI:10.1021/acs.jmedchem.5b01501

upstream raw materials:

2-hydroxy-4,6-dimethyl-3-carbonitrile

3-Cyano-4,6-dimethyl-2(1H)-pyridon

acetylacetone

Downstream raw materials:

N-((4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-6-(3-(hydroxymethyl)phenyl)-1-isopropyl-1H-pyrazolo[3,4-b]pyridine-4-carboxamide

1-(1-benzylpiperidin-4-yl)-N-((4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-6-(2,2,6,6-tetramethyl-1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[3,4-b]pyridine-4-carboxamide

N-((4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-1-isopropyl-6-(4-(piperazin-1-yl)phenyl)-1H-pyrazolo[3,4-b]pyridine-4-carboxamide

N-((4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-1-isopropyl-6-(4-((4-methylpiperazin-1-yl)methyl)phenyl)-1H-pyrazolo[3,4-b]pyridine-4-carboxamide