[ CAS No. 1033772-22-3 ]

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CAS No. 1033772-22-3, is a nitriles compound, with a molecular weight of 144.13, molecular formula C7H4N4, Ambeed provides reports for batches of (such as NMR, HPLC/GC).

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Product Details

CAS No. :1033772-22-3MDL No. :MFCD18384475
Formula :C7H4N4InChI Key :NIVLQFQUYUXUGN-UHFFFAOYSA-N
M.W :144.13Pubchem ID :60209659
Boiling Point :-
Synonyms :

Computed Properties

TPSA : 65.4 H-Bond Acceptor Count : 3
XLogP3 : 0.6 H-Bond Donor Count : 1
SP3 : 0.00 Rotatable Bond Count : 0

Safety

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

Application In Synthesis

[ 1033772-22-3 ] Synthesis Path-Upstream   1~1

  • 1
  • [ 7677-24-9 ]
  • [ 1033772-21-2 ]
  • [ 1033772-22-3 ]
YieldReaction ConditionsOperation in experiment
61%
Stage #1: at 20℃; for 0.08 h;
Stage #2: With N,N-Dimethylcarbamoyl chloride In dichloromethane at 20℃; for 96.00 h;
To a solution of 4-hydroxy-1-[[2-(trimethylsilyl)ethoxy]methyl]-1 H-pyrazolo[4,3- b]pyridinium (1.59 g, 6 mmol) in DCM (130 mL) was added TMSCN (1.13 mL, 9 mmol). After 5 min at rt, (Me)2N(C(O)CI (0.83 mL, 9 mmol) was added. The reaction mixture was stirred at rt for 4 days, after which it was diluted with DCM, washed with brine, and dried. Concentration followed by purification through column afforded 1 H-pyrazolo[4,3-b]pyridine-5- carbonitrile (1 g, 61percent).
Reference: [1] Patent: WO2008/71451, 2008, A1. Location in patent: Page/Page column 52-53
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