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[ CAS No. 1211589-63-7 ] {[proInfo.proName]}

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Product Details of [ 1211589-63-7 ]

CAS No. :1211589-63-7 MDL No. :MFCD11043006
Formula : C10H13NO2 Boiling Point : -
Linear Structure Formula :- InChI Key :LFFKLILKZSVRJV-UHFFFAOYSA-N
M.W : 179.22 Pubchem ID :20815720
Synonyms :

Safety of [ 1211589-63-7 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P305+P351+P338 UN#:N/A
Hazard Statements:H302-H315-H319-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 1211589-63-7 ]

* 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 [ 1211589-63-7 ]

[ 1211589-63-7 ] Synthesis Path-Downstream   1~3

  • 1
  • [ 2494423-55-9 ]
  • [ 1211589-63-7 ]
  • [ 2637519-29-8 ]
YieldReaction ConditionsOperation in experiment
20.8% With N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate In N,N-dimethyl-formamide at 20℃; for 1h; I-11 Example I-11 (rac)-5-(tert-Butyl)-N-(1-(3-(pyrimidin-2-yl)pyrazin-2-yl)ethyl)nicotinamide To a solution of 5-tert-butylnicotinic acid (40 mg, 0.22 mmol) in N,N-dimethylformamide (5 mL), was added (rac)-1-(3-(pyrimidin-2-yl)pyrazin-2-yl)ethan-1-amine (intermediate 9A, 45 mg, 0.22 mmol), HATU (127 mg, 0.34 mmol), and N,N-diisopropylethylamine (87 mg, 0.67 mmol). The resulting mixture was stirred at room temperature for 1 h. Water was added and the resulting mixture was extracted with dichloromethane. The combined organic layer was washed with brine and concentrated under vacuum. The residue was purified by Prep-HPLC with the following conditions [Column: Mobile Phase A: Water (10 mmol/L NH4HCO3 + 0.1% NH3.H2O), Mobile Phase B: ACN; Flow rate: 25 mL/min; Gradient: 20 B to 35 B in 7 min] to give 17.70 mg (95% purity, 20.8% yield) of the product as a light yellow solid. 1H-NMR (400 MHz, DMSO-d6): δ [ppm] = 1.29-1.31 (s, 9H), 1.60-1.62 (d, 3H), 5.56-5.63 (m, 1H), 7.55-7.58 (t, 1H), 7.97-7.98 (t, 1H), 8.66-8.72 (m, 3H), 8.77-8.78 (d, 1H), 8.96-8.98 (m, 3H). LC-MS (method 4, gradient 0.01-2.00 min 5-100% B, 2.00-2.70 min 100-100% B): Rt = 0.900 min; MS (ESIpos): m/z = 363 [M+H]+.
  • 2
  • [ 20826-04-4 ]
  • [ 677-22-5 ]
  • [ 1211589-63-7 ]
YieldReaction ConditionsOperation in experiment
80 mg With copper(l) iodide In tetrahydrofuran at -70 - 20℃; Inert atmosphere; Intermediate 7A 5-tert-Butylnicotinic acid To a solution of 5-bromonicotinic acid (4.0 g, 19.99 mmol) and copper(I) iodide (380 mg, 2.00 mmol) in tetrahydrofuran (100 mL) was added a solution of tert-butylmagnesium chloride in tetrahydrofuran (1.7 M, 29.4 mL, 50.0 mmol) dropwise at -70 °C under N2 atmosphere. Then the mixture was stirred overnight at room temperature. The reaction was quenched by careful addition of ammonium chloride solution. The resulting mixture was concentrated and poured into water, then extracted with ethyl acetate. The organic layers were combined, dried over anhydrous sodium sulfate and concentrated. The residue was purified by silica gel chromatography to give 80 mg of desired product as a white solid. LC-MS (method 4, gradient 0.01-2.50 min 5-100% B): Rt = 0.718 min; MS (ESIpos): m/z = 180 [M+H]+.
  • 3
  • [ 2637519-19-6 ]
  • [ 1211589-63-7 ]
  • [ 2637519-26-5 ]
YieldReaction ConditionsOperation in experiment
20.6% With N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate In N,N-dimethyl-formamide at 20℃; for 1h; I-6 Example I-6 (rac)-5-(tert-Butyl)-N-(1-(3-(thiazol-2-yl)pyrazin-2-yl)ethyl)nicotinamide To a solution of 5-tert-butylnicotinic acid (intermediate 7A, 40 mg, 0.22 mmol) in N,N- dimethylformamide (5 mL) was added (rac)-1-(3-(thiazol-2-yl)pyrazin-2-yl)ethan-1-amine (intermediate 6A, 46 mg, 0.22 mmol), HATU (127 mg, 0.34 mmol), and N,N-diisopropylethylamine (87 mg, 0.67 mmol). The resulting mixture was stirred at room temperature for 1 h. Water was added and the resulting mixture was extracted with ethyl acetate. The combined organic layer was washed with brine and concentrated under vacuum. The residue was purified by prep-HPLC with the following conditions [Column: Mobile Phase A: Water (10 mmol/L NH4HCO3 + 0.1% NH3.H2O), Mobile Phase B: ACN; Flow rate: 20 mL/min; Gradient: 35 B to 80 B in 7 min] to give 17.80 mg (95% purity, 20.6% yield) of the product as a white solid. 1H-NMR (400 MHz, DMSO-d6): δ [ppm] = 1.34 (s, 9H), 1.58-1.59 (d, 3H), 6.47-6.53 (m, 1H), 8.00-8.01 (d, 1H), 8.14-8.15 (d, 2H), 8.62-8.63 (d, 1H), 8.67-8.68 (d, 1H), 8.74 (d, 1H), 8.82 (d, 1H), 9.20-9.22 (d, 1H). LC-MS (method 4, gradient 0.01-3.25 min 5-50% B, 3.25-3.80 min 50-95% B, 3.80-4.20 min 95-95% B): Rt = 2.269 min; MS (ESIpos): m/z = 368 [M+H]+.
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