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Chemical Structure| 16078-63-0 Chemical Structure| 16078-63-0

Structure of 16078-63-0

Chemical Structure| 16078-63-0

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Product Details of [ 16078-63-0 ]

CAS No. :16078-63-0
Formula : C12H13N3O2
M.W : 231.25
SMILES Code : O=C(C1=CN(C2=CC=CC=C2)N=C1N)OCC
MDL No. :MFCD18800825
InChI Key :WATKLRBOWCFWFU-UHFFFAOYSA-N
Pubchem ID :14590586

Safety of [ 16078-63-0 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H315-H319-H332-H335
Precautionary Statements:P261-P280-P305+P351+P338

Application In Synthesis of [ 16078-63-0 ]

* 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 [ 16078-63-0 ]

[ 16078-63-0 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 5780-66-5 ]
  • [ 16078-63-0 ]
  • [ 865868-99-1 ]
YieldReaction ConditionsOperation in experiment
With sodium tris(acetoxy)borohydride; acetic acid; In dichloromethane; at 20℃; Intermediate 85 Ethyl 1-phenyl-3- [ (2-pyrazinylmethyl) amino]-1 H-pyrazole-4-carboxylate To ethyl 3-amino-1-phenyl-1H-pyrazole-4-carboxylate (250 mg, 1.08 mmol) was added DCM (6 mL), pyrazine-2-carboxaldehyde (233 mg, 2.16 mmol), acetic acid (0.18 mL, 3.24 mmol) and sodium triacetoxyborohydride (0.46 g, 2.16 mmol). The reaction was stirred overnight at room temperature, partitioned between DCM and water, passed through a hydrophobic frit and the organic layer concentrated. Purified by MDAP HPLC to give the title compound. MS calcd for (C17H17N5O2+H)+ : 324 MS found (electrospray) : (M+H) + = 324
 

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