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Type HazMat fee for 500 gram (Estimated)
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Chemical Structure| 957500-07-1 Chemical Structure| 957500-07-1

Structure of 957500-07-1

Chemical Structure| 957500-07-1

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Product Details of [ 957500-07-1 ]

CAS No. :957500-07-1
Formula : C8H10N2O2
M.W : 166.18
SMILES Code : O=C(C1=CC(C2CC2)=NN1C)O
MDL No. :MFCD07186420
InChI Key :WAVQQDWWBUEGMB-UHFFFAOYSA-N
Pubchem ID :3159656

Safety of [ 957500-07-1 ]

GHS Pictogram:
Signal Word:Danger
Hazard Statements:H301
Precautionary Statements:P301+P310
Class:6.1
UN#:2811
Packing Group:

Application In Synthesis of [ 957500-07-1 ]

* 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 [ 957500-07-1 ]

[ 957500-07-1 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 21080-80-8 ]
  • [ 957500-07-1 ]
  • 2
  • [ 957500-07-1 ]
  • [ 51586-20-0 ]
  • 3-cyclopropyl-N-(2,3-dimethylbenzyl)-1-methyl-1H-pyrazole-5-carboxamide [ No CAS ]
YieldReaction ConditionsOperation in experiment
270 mg With O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; N-ethyl-N,N-diisopropylamine; In N,N-dimethyl-formamide; at 20 - 25℃; for 12h;Inert atmosphere; 20) 3-cyclopropyl-N-(2,3-dimethylbenzyl)-1-methyl-1H-pyrazole-5-carboxamide To a solution of amine (250 mg, 1.85 mmol, 1.0 eq) and acid (307 mg, 1.85 mmol, 1.0 eq) in DMF (15 mL) were added DIEA (1.19 g, 9.25 mmol, 5 eq) and HBTU (849 mg, 2.22 mmol, 1.2 eq) and the reaction mixture was stirred at rt for 12 h. The reaction mixture was then diluted with ethyl acetate (20 mL) and washed with 10% aqHCl (1*20 mL), sat NaHCO3 (1*20 mL) and water (4*20 mL). Organic layer was collected, dried (MgSO4) and evaporated to give a crude product, which was purified by column chromatography (EtOAc/Hexane 10% to 50%) to give the desired product (270 mg). Mass Spectrum (LCMS, ESI Pos.) Calcd. For C17H22N3O: 284 (M+H), Found 284.
 

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