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Chemical Structure| 68774-78-7 Chemical Structure| 68774-78-7

Structure of 68774-78-7

Chemical Structure| 68774-78-7

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Product Details of [ 68774-78-7 ]

CAS No. :68774-78-7
Formula : C6H5ClN4
M.W : 168.58
SMILES Code : CC1=NN=C2C(Cl)=NC=CN21
MDL No. :MFCD08272087
InChI Key :RIWAMVRPNJEQJK-UHFFFAOYSA-N
Pubchem ID :325200

Safety of [ 68774-78-7 ]

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

Application In Synthesis of [ 68774-78-7 ]

* 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.

  • Upstream synthesis route of [ 68774-78-7 ]

[ 68774-78-7 ] Synthesis Path-Upstream   1~1

  • 1
  • [ 78-39-7 ]
  • [ 63286-28-2 ]
  • [ 68774-78-7 ]
YieldReaction ConditionsOperation in experiment
2 g Reflux Step 2: 8-chloro-3-methyl-[l,2,4]triazolo[4,3-a]pyrazine [0197] To a stirred solution of 2-chloro-3-hydrazinylpyrazine (2.0 g, 14 mmol) in xylene (20 mL) was added triethyl orthoformate (5.8 mL, 32 mmol). The mixture was heated under reflux overnight and then cooled to room temperature. The resulting precipitate was collected by filtration to afford the title compound as a brown powder (2.0 g, 87percent). MS (ESI) calcd forC6H5CIN4: 168.0 ; found: 169.2 [M+H]. *H NM (400 MHz, CDCI3) δ 7.80 (d, J = 4.8 Hz, 1H), 7.71 (d, J = 4.8 Hz, 1H), 2.83 (s, 3H).
References: [1] Bioorganic and Medicinal Chemistry Letters, 2017, vol. 27, # 20, p. 4606 - 4613.
[2] Patent: WO2016/100349, 2016, A2, . Location in patent: Paragraph 0197.
 

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Related Functional Groups of
[ 68774-78-7 ]

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Related Parent Nucleus of
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