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Home > Encyclopedia > 4,6-DIMETHYLNICOTINONITRILE

4,6-DIMETHYLNICOTINONITRILE

4,6-DIMETHYLNICOTINONITRILE structure

4,6-DIMETHYLNICOTINONITRILE 

structure
  • CAS No:

    6623-21-8

  • Formula:

    C8H8N2

  • Chemical Name:

    4,6-DIMETHYLNICOTINONITRILE

  • Synonyms:

    NSC 54160;4,6-DIMETHYLNICOTINONITRILE;3-Cyano-4,6-dimethylpyridine;4,6-DiMethylintcotinonitrile;4,6-DIMETHYLPYRIDINE-3-CARBONITRILE

  • Categories:

    Pharmaceutical Intermediates  >  Heterocyclic Compound

4,6-DIMETHYLNICOTINONITRILE Basic Attributes

132.16

132.068741

54160

DTXSID80288107

2933399090

Characteristics

36.7

1.3

1.05

57-58℃

251℃

97℃

1.525

4,6-DIMETHYLNICOTINONITRILE Use and Manufacturing

(0.15 g , 1 .135 mmol) in MeOH (150 ml) was subjected to the H-Cube with 10% palladium on carbon at a flow rate of 1 ml / min using at 50 bar and room temperature into a solution of 1 M HCI (1 ml). The solvent was evaporated in vacuo to give the title compound (190 mg, 64%) as a white solid. Used without purification.1 H-NMR (DMSO-d6, 500 MHz): d[ppm]= 8.74 - 8.66 (m, 1 H), 8.62 - 8.42 (m, 3H), 7.76 - 7.64 (m, 1 H), 4.23 - 4.13 (m, 2H), 2.66 - 2.63 (m, 3H), 2.58 - 2.54 (m, 3H)HPLCMS (Method E): [m/z]: 136.9 [M+H]+

Computed Properties

Molecular Weight:132.16
XLogP3:1.3
Hydrogen Bond Acceptor Count:2
Exact Mass:132.068748264
Monoisotopic Mass:132.068748264
Topological Polar Surface Area:36.7
Heavy Atom Count:10
Complexity:156
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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