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3-Bromo-4-methyl-2(1H)-pyridinone

3-Bromo-4-methyl-2(1H)-pyridinone structure

3-Bromo-4-methyl-2(1H)-pyridinone 

structure
  • CAS No:

    18368-59-7

  • Formula:

    C6H6BrNO

  • Chemical Name:

    3-Bromo-4-methyl-2(1H)-pyridinone

  • Synonyms:

    2(1H)-Pyridinone,3-bromo-4-methyl-;2(1H)-Pyridone,3-bromo-4-methyl-;3-Bromo-4-methyl-2(1H)-pyridinone;3-Bromo-4-methyl-2-(1H)-pyridinone;3-Bromo-4-methyl-pyridin-2-ol;3-Bromo-4-methyl-1,2-dihydropyridin-2-one;3-Bromo-4-methyl-1H-pyridin-2-one

  • Categories:

    Pharmaceutical Intermediates  >  Heterocyclic Compound

3-Bromo-4-methyl-2(1H)-pyridinone Basic Attributes

188.02

188.02

DTXSID50541473

2933399090

Characteristics

29.1

1

1.622±0.06 g/cm3(Predicted)

323.2±42.0 °C(Predicted)

134.5±25.9 °C

1.598

0mmHg at 25°C

Safety Information

22

Xn

3-Bromo-4-methyl-2(1H)-pyridinone Use and Manufacturing

To a mixture of Example 195; Synthesis of 3-iodo-4-methyl-1-(3-(trifluoromethoxy)phenyl)pyridin-2' HP-one; A resealable pressure vessel was charged with copper(l) iodide (0.081 g, 0.425 mmol), 1-iodo-3-(trifluoromethoxy)benzene (0.434 ml, 2.77 mmol) and 3-bromo-4- methylpyridin-2(1H)-one (0.400 g, 2.13 mmol). To the mixture was added dioxane (3 ml.) followed by N1, N2-dimethylethane-1, 2-diamine (0.092 ml, 0.851 mmol). The vessel was purged with Argon, sealed, and heated to 1100C for 24 hrs. The mixture was cooled to RT, diluted with EtOAc and washed with water and brine. The organic fraction was adsorbed onto silica gel and purified by silica gel chromatography using 15-80% Hexanes:EtOAc to afford 3-iodo-4-methyl-1- (3-(trifluoromethoxy)phenyl)pyridin-2(1 H)-one as an off-white solid. M+H+ = 396.0.Example 2Synthesis of 3-iodo-4-methyl-1-(3-(trifluoromethoxy)phenyl)pyridin-2(1 H)- one Example 193; Synthesis of Example 1Synthesis of

Computed Properties

Molecular Weight:188.02
XLogP3:1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Exact Mass:186.96328
Monoisotopic Mass:186.96328
Topological Polar Surface Area:29.1
Heavy Atom Count:9
Complexity:205
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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