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Chemical Structure| 329946-99-8 Chemical Structure| 329946-99-8

Structure of 329946-99-8

Chemical Structure| 329946-99-8

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Product Details of [ 329946-99-8 ]

CAS No. :329946-99-8
Formula : C6H6N4
M.W : 134.14
SMILES Code : NC1=CN=C(N=CN2)C2=C1
MDL No. :MFCD09881172
InChI Key :CMFKCHQBIAIHMH-UHFFFAOYSA-N
Pubchem ID :23149106

Safety of [ 329946-99-8 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H315-H319-H335
Precautionary Statements:P261-P305+P351+P338

Application In Synthesis of [ 329946-99-8 ]

* 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 [ 329946-99-8 ]

[ 329946-99-8 ] Synthesis Path-Downstream   1~5

  • 1
  • [ 1103234-56-5 ]
  • [ 329946-99-8 ]
  • [ 1186223-05-1 ]
YieldReaction ConditionsOperation in experiment
9% With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In N,N-dimethyl-formamide; at 20.0℃; for 16.0h; 3H-Imidazo[4,5-b]pyridin-6-amine (29 mg, 0.22 mmol), 2,6-difluoro-3-(propylsulfonamido)benzoic acid (60 mg, 0.22 mmol, 1 eq.), EDCI (46 mg, 0.24 mmol, 1.1 eq.), and 1-hydroxybenzotriazole ("HOBT")eta2O (33 mg, 0.22 mmol, 1 eq.) were combined in dry DMF (2 mL) and stirred at room temperature for 16 hours. The reaction mixture was then diluted with brine and extracted with ethyl acetate ("EtOAc"; 2 X). The extracts were washed with water (1 X), dried over sodium sulfate and concentrated under reduced pressure. The resulting crude product was purified by preparative TLC (2 X 0.5 mm plates, 10% MeOH/DCM) to give 2,6-difluoro-N-(3H-imidazo[4,5-b]pyridin-6-yl)-3-(propylsulfonamido)benzamide (7.4 mg, 9%). 1H NMR (400 MHz, DMSOd6) delta 12.63 (br s, IH), 11.03 (br s, IH), 9.81 (br s, IH), 8.43-8.53 (m, 3H), 7.53-7.59 (m, IH), 7.26-7.30 (m, IH), 3.11-3.15 (m, 2H), 1.74-1.80 (m, 2H), 0.98-1.02 (m, 3H); m/z (APCI-pos) M+l = 394.3.
  • 2
  • [ 3537-09-5 ]
  • [ 329946-99-8 ]
YieldReaction ConditionsOperation in experiment
With hydrogen;palladium 10% on activated carbon; In ethanol; at 20.0℃; 6-Nitro-3H-imidazo[4,5-b]pyridine (0.026 g, 0.158 mmol) was taken up as a slurry in EtOH. 10% PdVC (0.00843 g, 0.00792 mmol) was added, and hydrogen gas was bubbled through for 10 minutes. The reaction was stirred under a balloon of hydrogen at room temperature overnight. The reaction was filtered through celite, and the filtrate was concentrated to give 3H-imidazo[4,5-b]pyridin-6-amine as a solid that was used without further purification.
  • 5
  • [ 2578-45-2 ]
  • [ 329946-99-8 ]
 

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