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[ CAS No. 26820-34-8 ]

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2D
Chemical Structure| 26820-34-8
Chemical Structure| 26820-34-8
Structure of 26820-34-8 *Storage: {[proInfo.prStorage]}

Quality Control of [ 26820-34-8 ]

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Related Doc. of [ 26820-34-8 ]

SDS

Product Details of [ 26820-34-8 ]

CAS No. :26820-34-8MDL No. :MFCD16877634
Formula :C7H4ClN3O2Boiling Point :-
Linear Structure Formula :-InChI Key :FVZWFEILQHGLRN-UHFFFAOYSA-N
M.W :197.58Pubchem ID :13240382
Synonyms :

Computed Properties of [ 26820-34-8 ]

TPSA : 82.5 H-Bond Acceptor Count : 4
XLogP3 : 1.8 H-Bond Donor Count : 0
SP3 : 0.14 Rotatable Bond Count : 0

Safety of [ 26820-34-8 ]

Signal Word:WarningClassN/A
Precautionary Statements:P261-P305+P351+P338UN#:N/A
Hazard Statements:H302-H315-H319-H335Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 26820-34-8 ]

  • Upstream synthesis route of [ 26820-34-8 ]
  • Downstream synthetic route of [ 26820-34-8 ]

[ 26820-34-8 ] Synthesis Path-Upstream   1~5

  • 1
  • [ 85216-54-2 ]
  • [ 26820-34-8 ]
YieldReaction ConditionsOperation in experiment
80% at 100℃; for 20.00 h; Phosphorus oxychloride (64 mL, 689 mmol) was added to 6-dimethyl-5-nitro-2-oxo- l,2-dihydropyridine-3-carbonitrile (19.5 g, 107 mmol). To this mixture, phosphorus pentachloride (20.81 g, 100 mmol) was added and reaction mixture was heated to 100 °C for 20 h. Reaction mixture was cooled and poured in ice-water mixture. The precipitate obtained was filtered washed with water and dried to obtain 2-chloro-6-methyl-5-nitronicotinonitrile. Yield: 80 percent; *H NMR (300 MHz, DMSO-d6): δ 10.45 (s, 1H), 2.77 (s, 3H); MS (ES): m z 198.1 (M+l).
Reference: [1] Patent: WO2014/207508, 2014, A1. Location in patent: Page/Page column 56
  • 2
  • [ 85216-56-4 ]
  • [ 85216-54-2 ]
  • [ 26820-34-8 ]
Reference: [1] Patent: WO2008/101682, 2008, A2. Location in patent: Page/Page column 87-88
  • 3
  • [ 85216-54-2 ]
  • [ 26820-34-8 ]
Reference: [1] Journal of the American Chemical Society, 1947, vol. 69, p. 2574,2577
  • 4
  • [ 4241-27-4 ]
  • [ 26820-34-8 ]
Reference: [1] Journal of the American Chemical Society, 1947, vol. 69, p. 2574,2577
  • 5
  • [ 4241-27-4 ]
  • [ 26820-34-8 ]
Reference: [1] Patent: WO2014/207508, 2014, A1
[2] Patent: WO2008/101682, 2008, A2
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