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Chemical Structure| 920966-13-8 Chemical Structure| 920966-13-8

Structure of 920966-13-8

Chemical Structure| 920966-13-8

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Product Details of [ 920966-13-8 ]

CAS No. :920966-13-8
Formula : C8H6ClN3O
M.W : 195.61
SMILES Code : O=C(C1=CN=C(NC=C2)C2=C1Cl)N
MDL No. :MFCD15529238
InChI Key :VQUZOZOEDPTJRR-UHFFFAOYSA-N
Pubchem ID :66924177

Safety of [ 920966-13-8 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H315-H319-H335
Precautionary Statements:P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501

Application In Synthesis of [ 920966-13-8 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Downstream synthetic route of [ 920966-13-8 ]

[ 920966-13-8 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 920966-13-8 ]
  • [ 62058-03-1 ]
  • 4-[(1R,2s,3S,5s,7s)-5-hydroxyadamantan-2-yl]amino}-1H-pyrrolo[2,3-b]pyridine-5-carboxamide [ No CAS ]
YieldReaction ConditionsOperation in experiment
50% With 1-methyl-pyrrolidin-2-one; tributyl-amine; at 200℃; for 2.5h;Inert atmosphere; General procedure: Under a nitrogen atmosphere, a mixture of 6 (2.5 g, 12.8 mmol), 11(3.2 g, 19.2 mmol) and n-Bu3N (9.1 mL, 38.3 mmol) in NMP (12.5 mL)was stirred at a bath temperature of 200 °C for 2.5 h. After cooling toroom temperature, the reaction solution was added dropwise to H2O/Et2O while stirring. The obtained solid was collected by filtration,washed with H2O and Et2O, and then dried. The obtained solid waswarmed and dissolved in MeOH, and filtered while warming. The filtratewas concentrated under reduced pressure. To the residue wasadded MeOH, and the mixture was heated and dissolved. After coolingto room temperature, the solution was stirred overnight at room temperature.The precipitated solid was collected by filtration, washedMeOH, and dried under reduced pressure to give the title compound(2.1 g, 50percent). 1H NMR (DMSO-d6) delta 1.37?1.46 (m, 2H), 1.62?1.73 (m,4H), 1.80?1.89 (m, 4H), 2.02?2.08 (m, 1H), 2.12?2.18 (m, 2H),4.10?4.17 (m, 1H), 4.51 (s, 1H), 6.41 (d, J=3.6 Hz, 1H), 6.88?7.10(br, 1H), 7.13 (d, J=3.6 Hz, 1H), 7.65?7.90 (br, 1H), 8.38 (s, 1H),10.10 (d, J=8.0 Hz, 1H), 11.45 (br s, 1H); MS (ESI) m/z 327 [M+H]+;Anal. Calcd for C18H22N4O2·H2O: C, 62.77; H, 7.02; N, 16.27. Found: C,62.39; H, 7.04; N, 16.14.
 

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