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Chemical Structure| 93071-65-9 Chemical Structure| 93071-65-9

Structure of 93071-65-9

Chemical Structure| 93071-65-9

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Product Details of [ 93071-65-9 ]

CAS No. :93071-65-9
Formula : C9H11NO2
M.W : 165.19
SMILES Code : COC(=O)C1=CC(CN)=CC=C1
MDL No. :MFCD06797940

Safety of [ 93071-65-9 ]

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

Application In Synthesis of [ 93071-65-9 ]

* 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 [ 93071-65-9 ]

[ 93071-65-9 ] Synthesis Path-Downstream   1~3

  • 1
  • [ 13531-48-1 ]
  • [ 93071-65-9 ]
  • [ 208450-86-6 ]
  • 2
  • [ 13531-48-1 ]
  • [ 93071-65-9 ]
YieldReaction ConditionsOperation in experiment
92% 13B Methyl 3-aminomethylbenzoate Following the process described in example 1 (point E), starting from <strong>[13531-48-1]methyl 3-cyanobenzoate</strong> and reacting for 4 h, the title compound was prepared as a semi-solid oil (92percent yield). 1H N.M.R. (300 MHz, CD3OD) delta ppm: 3.88 (s, 3H); 3.91 (s, 2H); 7.49 (t, 1H); 7.51 (dd, 1H); 7.91 (dd, 1H); 7.99 (d, 1H).
  • 3
  • [ 93071-65-9 ]
  • [ 4385-76-6 ]
  • C21H18N2O3 [ No CAS ]
YieldReaction ConditionsOperation in experiment
141 mg With N-ethyl-N,N-diisopropylamine; HATU; In N,N-dimethyl-formamide; at 20℃; for 2h; To a solution of <strong>[4385-76-6]4-(pyridin-4-yl)benzoic acid</strong> (100 mg, 0.50 mmol) and methyl 3- (aminomethyl)benzoate (99 mg, 0.6 mmol) in DMF were added diisopropylethylamine (DIEA, 0.26 mL, 1.5 mmol) and l-[Bis(dimethylamino)methylene]-lH-l,2,3-triazolo[4,5-b]pyridinium 3-oxid hexafluorophosphate (HATU, 247 mg, 0.65 mmol). The reaction was stirred at room temperature for 2 hrs and diluted with water. The mixture was concentrated and purified by C-18 column chromatography to give 1 A (141 mg).
 

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