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Chemical Structure| 21377-11-7 Chemical Structure| 21377-11-7

Structure of 21377-11-7

Chemical Structure| 21377-11-7

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Product Details of [ 21377-11-7 ]

CAS No. :21377-11-7
Formula : C13H15N3O2
M.W : 245.28
SMILES Code : O=C(C1=CN(CC2=CC=CC=C2)N=C1N)OCC
MDL No. :MFCD21605632
InChI Key :JHEHBQQUKRWMGB-UHFFFAOYSA-N
Pubchem ID :15703582

Safety of [ 21377-11-7 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H315-H319
Precautionary Statements:P501-P270-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330

Application In Synthesis of [ 21377-11-7 ]

* 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.

  • Downstream synthetic route of [ 21377-11-7 ]

[ 21377-11-7 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 22929-52-8 ]
  • [ 21377-11-7 ]
  • [ 865869-67-6 ]
YieldReaction ConditionsOperation in experiment
With sodium tris(acetoxy)borohydride; acetic acid; In dichloromethane; for 16h; Intermediate 163 Ethyl 1-(phenylmethyl)-3-[(tetrahydro-3-furanyl)amino]-1H-pyrazole-4-carboxylate. To a solution of ethyl 3-amino-1-(phenylmethyl)-1H-pyrazole-4-carboxylate (7.88 g, 32 mmol) and dihydro-3 (2H)-furanone (1.60 g, 18.6 mmol) in DCM (100 mL) was added sodium triacetoxyborohydride (7.88 g, 37 mmol) and acetic acid (3.2 mL). The mixture was stirred for 16 hours, partitioned between DCM and saturated sodium bicarbonate solution and applied through a hydrophobic frit. The organic fraction was evaporated, the residue purified using a 330 g ISCO Flash column, eluting with a gradient of ethyl acetate in cyclohexane (5- 60percent) to give the title compound. MS calcd for (C17H21N303+ H) + : 316 MS found (electrospray) : (M+H) += 316
 

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