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[ CAS No. 862729-13-3 ]

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Cat. No.: {[proInfo.prAm]}
2D
Chemical Structure| 862729-13-3
Chemical Structure| 862729-13-3
Structure of 862729-13-3 *Storage: {[proInfo.prStorage]}

Quality Control of [ 862729-13-3 ]

Related Doc. of [ 862729-13-3 ]

SDS

Product Details of [ 862729-13-3 ]

CAS No. :862729-13-3MDL No. :MFCD21603870
Formula : C7H7IN4 Boiling Point : -
Linear Structure Formula :-InChI Key :N/A
M.W :274.06Pubchem ID :59424180
Synonyms :

Computed Properties of [ 862729-13-3 ]

TPSA : 56.7 H-Bond Acceptor Count : 3
XLogP3 : 0.9 H-Bond Donor Count : 1
SP3 : 0.14 Rotatable Bond Count : 0

Safety of [ 862729-13-3 ]

Signal Word:WarningClassN/A
Precautionary Statements:P280-P305+P351+P338UN#:N/A
Hazard Statements:H302Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 862729-13-3 ]

  • Upstream synthesis route of [ 862729-13-3 ]

[ 862729-13-3 ] Synthesis Path-Upstream   1~3

  • 1
  • [ 163622-50-2 ]
  • [ 74-88-4 ]
  • [ 862729-13-3 ]
YieldReaction ConditionsOperation in experiment
50% With potassium carbonate In N,N-dimethyl-formamide for 8.00 h; To a solution of 750 mg (2.88 mmol) of 5-iodo-7H-pyrrolo[2,3-d]pyrimidin-4-amine in 20 mL of dry DMF, 190 μL (3.02 mmol) of methyl iodide and 795 mg (5.76 mmol) of anhydrous potassium carbonate were added. After 8 h the solvent was evaporated, the residue taken up with DCM and washed with water. The organic layer was dried over anhydrous Na2S04 and evaporated again to afford 394 mg (50percent) of the title compound. HRMS (ESI) calcd for C7H7N4I [M+H]+ 274.9788, found 274.9788.
Reference: [1] Patent: WO2014/184069, 2014, A1. Location in patent: Page/Page column 34; 35
  • 2
  • [ 1500-85-2 ]
  • [ 862729-13-3 ]
Reference: [1] Patent: WO2014/184069, 2014, A1
  • 3
  • [ 123148-78-7 ]
  • [ 862729-13-3 ]
Reference: [1] Patent: WO2017/220477, 2017, A1
Historical Records

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[ 862729-13-3 ]

Amines

Chemical Structure| 163622-50-2

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