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[ CAS No. 914349-31-8 ]

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Chemical Structure| 914349-31-8
Chemical Structure| 914349-31-8
Structure of 914349-31-8 * Storage: {[proInfo.prStorage]}

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Product Details of [ 914349-31-8 ]

CAS No. :914349-31-8 MDL No. :MFCD05864776
Formula : C13H13BrN2O4 Boiling Point : 441.601°C at 760 mmHg
Linear Structure Formula :- InChI Key :-
M.W :341.16 g/mol Pubchem ID :-
Synonyms :

Safety of [ 914349-31-8 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P280 UN#:N/A
Hazard Statements:H302-H317 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 914349-31-8 ]

  • Downstream synthetic route of [ 914349-31-8 ]

[ 914349-31-8 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 914349-31-8 ]
  • tert-Butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-1(2H)-pyridinecarboxylate [ No CAS ]
  • [ 151273-41-5 ]
YieldReaction ConditionsOperation in experiment
54% With sodium carbonate In 1,4-dioxane; water at 120℃; for 2h; Microwave irradiation; 95 terf-Butyl 4-(5-nitro-lJH-indol-3-yl)-5,6-dihydropyridine-l(2JH)-carboxylate; The mixture of tert-buty S-bromo-S-nitro-1H-indole-1-carboxylate (341.2 mg, 1.0 mmol, 1.0 eq), tert-butyl 4-(4,4,5,5-tetramethyl-l ,3,2-dioxaborolan-2-yl)-5,6- dihydropyridine-l(2H)-carboxylate (309.2 mg, 1.0 eq), (PPh3)4Pd (0) (231.1 mg, 0.2 eq), Na2CO3 (2M, 1.5 mL, 3.0 eq) and dioxane (1OmL) was degassed and heated at 120 °C in a microwave-oven synthesizer for 2 h. The mixture was cooled to room temperature and filtered fthrough a celite pad to remove Na2CO3 and catalyst. EtOAc was used to wash the celite pad. The solvent was removed and the crude was purified by silica gel with chromatography (0%~20% MeOH/DCM) to obtain the desired product tert-butyl 4-(5-nitro-1H-indol-3-yl)-5,6-dihydropyridine-l(2H)-carboxylate (184.1 mg, isolated yield 54%).
  • 2
  • [ 914349-31-8 ]
  • tert-Butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-1(2H)-pyridinecarboxylate [ No CAS ]
  • [ 151273-39-1 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: sodium carbonate / tetrakis(triphenylphosphine) palladium(0) / 1,4-dioxane; water / 2 h / 120 °C / Microwave irradiation 2: iron(III) chloride; ammonium chloride / 1,4-dioxane; ethanol; water / 3 h / 70 °C
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