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Chemical Structure| 53085-52-2 Chemical Structure| 53085-52-2

Structure of 53085-52-2

Chemical Structure| 53085-52-2

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Product Details of [ 53085-52-2 ]

CAS No. :53085-52-2
Formula : C6H6ClN5
M.W : 183.60
SMILES Code : NC1=CC(Cl)=NN2C1=NN=C2C
MDL No. :MFCD20707049
InChI Key :DPQWAJPMHCHEBY-UHFFFAOYSA-N
Pubchem ID :71756812

Safety of [ 53085-52-2 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302
Precautionary Statements:P280-P305+P351+P338

Application In Synthesis of [ 53085-52-2 ]

* 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 [ 53085-52-2 ]

[ 53085-52-2 ] Synthesis Path-Downstream   1~3

  • 2
  • [ 64-19-7 ]
  • [ 934-26-9 ]
  • [ 53085-52-2 ]
YieldReaction ConditionsOperation in experiment
82% With potassium acetate; at 170℃; for 4.0h;Microwave irradiation; Sealed tube; Step 112.3: 6-chloro-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine A MW vial was charged with <strong>[934-26-9]6-chloro-3-hydrazinylpyridazin-4-amine</strong> (Step 112.2) (475 mg, 2.98 mmol) and potassium acetate (467 mg, 4.76 mmol) in AcOH (5 mL). The MW vial was sealed and the resulting mixture was heated up and stirred at 170 C. for 4 hr. The reaction was cooled down to RT and concentrated under reduced pressure. The crude product was purified by silica gel column chromatography (NH3 1%/CH2Cl2/MeOH 1-3%) to afford the title product (450 mg, 2.451 mmol, 82% yield). tR: 2.32 min (HPLC 1); tR: 0.55 min (LC-MS 2); ESI-MS: 184 [M+H]+ (LC-MS 2); ESI-MS: 182 [M-H]- (LC-MS 2); Rf=0.45 (CH2Cl2/MeOH 9:1).
  • 3
  • potassium acetate [ No CAS ]
  • [ 64-19-7 ]
  • [ 934-26-9 ]
  • [ 53085-52-2 ]
YieldReaction ConditionsOperation in experiment
82% at 170℃; for 4.0h;Microwave irradiation; A MW vial was charged with <strong>[934-26-9]6-chloro-3-hydrazinylpyridazin-4-amine</strong> (Stepi 12.2) (475 mg, 2.98 mmol) and potassium acetate (467 mg, 4.76 mmol) in AcOH (5 mL). The MW vial was sealed and the resulting mixture was heated up and stirred at 170°C for 4 hr. The reaction was cooled down to RT and concentrated under reduced pressure. The crude product was purified by silicagel column chromatography (NH3 1percent/CH2CI2/MeOH 1-3percent) to afford the title product (450 mg,2.451 mmol, 82percent yield). tR. 2.32 mm (HPLC 1); tR. 0.55 mm (LC-MS 2); ESl-MS: 184 [M+H] (LC-MS 2); ESl-MS: 182 [M-H] (LC-MS 2); R = 0.45 (CH2CI2/MeOH 9:1).
 

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[ 53085-52-2 ]

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