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[ CAS No. 1001350-96-4 ] {[proInfo.proName]}

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Chemical Structure| 1001350-96-4
Chemical Structure| 1001350-96-4
Structure of 1001350-96-4 * Storage: {[proInfo.prStorage]}
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Product Details of [ 1001350-96-4 ]

CAS No. :1001350-96-4 MDL No. :MFCD18633202
Formula : C23H24FN9O Boiling Point : -
Linear Structure Formula :- InChI Key :LQVXSNNAFNGRAH-QHCPKHFHSA-N
M.W : 461.49 Pubchem ID :24785538
Synonyms :

Safety of [ 1001350-96-4 ]

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 [ 1001350-96-4 ]

* 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 [ 1001350-96-4 ]

[ 1001350-96-4 ] Synthesis Path-Downstream   1~10

  • 1
  • [ 1001353-78-1 ]
  • [ 1827-27-6 ]
  • [ 1001350-96-4 ]
YieldReaction ConditionsOperation in experiment
70% Stage #1: (S)-1-(4-((5-cyclopropyl-1H-pyrazol-3-yl)amino)pyrrolo[2,1-f][1,2,4]triazin-2-yl)-2-methylpyrrolidine-2-carboxylic acid With thionyl chloride In N,N-dimethyl-formamide at 5 - 20℃; for 1h; Stage #2: 2-fluoro-5-aminopyridine In N,N-dimethyl-d<SUB>6</SUB>-formamide for 24h; BMS-754807 (1) and (S)-N-(6-bromopyridin-3-yl)-1-(4-((5-cyclopropyl-1Hpyrazol-3-yl)amino)pyrrolo[2,1-f][1,2,4]triazin-2-yl)-2-methylpyrroli-dine-2-carboxamide: (S)-1-(4-((5-cyclopropyl-1H-pyrazol-3-yl)amino)pyrrolo[2,1-f][1,2,4]tria-zin-2-yl)-2-methylpyrrolidine-2-carboxylic acid (0.220 g,0.6 mmol) in N,N-dimethylformamide (3 mL) was cooled to 5°C in an ice bath. Thionyl chloride (0.057 ml, 0.78 mmol) was then added dropwise. The reaction mixture was stirred at 5-20°C for 1 h. 6-Fluoropyridin-3-amine(0.201 mg, 1.8 mmol) or 6-bromopyridin-3-amine (0.311 g, 1.80 mmol) in 1 mL of DMF was then added in one portion and the reaction mixture was stirred at rt for 24 h. The reaction mixture was then poured into 0.5 N NaHCO3 solution (20 mL). The resulting suspension was then stirred at rt for 1 h. The suspension was then extracted with EtOAc (3 50 mL), dried over MgSO4,concentrated and column chromatographed using 50:50 EtOAc/hexane to yield1 (192 mg, 70%) or 1a as a colorless solid (244 mg, 78%). The spectral data for 1 were identical to that reported for reported compound45 1a: 1H NMR(400 MHz, CDCl3) δ 8.98 (s, 1H), 8.27 (d, J = 3.1 Hz, 1H), 7.96-7.76 (m, 2H),7.48-7.31 (m, 2H), 6.56 (ddd, J = 23.2, 4.8, 2.2 Hz, 2H), 6.19 (d, J = 3.6 Hz, 1H),3.89-3.67 (m, 2H), 2.60 (td, J = 9.9, 8.5, 5.0 Hz, 1H), 2.20-1.88 (m, 2H), 1.75 (s,3H), 1.72-1.67 (m, 1H), 1.34-1.19 (m, 1H), 1.02-0.86 (m, 2H), 0.81-0.58 (m,2H); HRMS Calcd For C23H25BrN9O (MH+): 522.1365. Found: 522.1376.
18% 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 45℃; for 18h; 104 (S)-1-(4-(5-cyclopropyl-1H-pyrazol-3-ylamino)pyrrolo[1,2-f][1,2,4]triazin-2-yl)-N-(6-fluoropyridin-3-yl)-2-methylpyrrolidine-2-carboxamide Example 104 (S)-1-(4-(5-cyclopropyl-1H-pyrazol-3-ylamino)pyrrolo[1,2-f][1,2,4]triazin-2-yl)-N-(6-fluoropyridin-3-yl)-2-methylpyrrolidine-2-carboxamide Diisopropylethylamine (0.05 mL, 0.3 mmole) was added to a stirred mixture of 68A (40 mg, 0.11 mmol), 5-amino-2-fluoropyridine (37 mg, 0.33 mmole), and HATU (50 mg, 0.132 mmole) in dry dimethylformamide (0.5 mL) at RT. The mixture was heated at 45° C. for 18 hrs. The crude mixture was diluted with methanol and the product was isolated by preparative HPLC. The fractions that contained the product were applied onto a MCX cartridge and then flushed with methanol. The free base product was eluted with a 2 N solution of ammonia in methanol and removal of the solvents left product (9 mg, 18% yield): MS: 462 (M+H)+.
  • 3
  • [ 918538-08-6 ]
  • [ 1001350-96-4 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: tetra(n-butyl)ammonium hydroxide; potassium carbonate / 60 h / 160 °C 2: N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate / N,N-dimethyl-formamide / 18 h / 45 °C
Multi-step reaction with 2 steps 1.1: potassium <i>tert</i>-butylate / 1-methyl-pyrrolidin-2-one / 180 °C 2.1: thionyl chloride / N,N-dimethyl-formamide / 1 h / 5 - 20 °C 2.2: 24 h
  • 4
  • [ 918538-04-2 ]
  • BMS-754807 [ No CAS ]
  • 5
  • [ 918538-05-3 ]
  • [ 1001350-96-4 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1: N-ethyl-N,N-diisopropylamine / isopropyl alcohol / 20 °C 2: tetra(n-butyl)ammonium hydroxide; potassium carbonate / 60 h / 160 °C 3: N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate / N,N-dimethyl-formamide / 18 h / 45 °C
Multi-step reaction with 3 steps 1.1: N-ethyl-N,N-diisopropylamine / isopropyl alcohol / 20 °C 2.1: potassium <i>tert</i>-butylate / 1-methyl-pyrrolidin-2-one / 180 °C 3.1: thionyl chloride / N,N-dimethyl-formamide / 1 h / 5 - 20 °C 3.2: 24 h
  • 6
  • [ 1379337-32-2 ]
  • [ 1001350-96-4 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 5 steps 1: 17 h / 155 °C 2: N-ethyl-N,N-diisopropylamine; trichlorophosphate / toluene / 24 h / 125 °C 3: N-ethyl-N,N-diisopropylamine / isopropyl alcohol / 20 °C 4: tetra(n-butyl)ammonium hydroxide; potassium carbonate / 60 h / 160 °C 5: N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate / N,N-dimethyl-formamide / 18 h / 45 °C
  • 7
  • [ 159326-69-9 ]
  • [ 1001350-96-4 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 6 steps 1: pyridine / 1,4-dioxane / 1 h / Heating / reflux 2: 17 h / 155 °C 3: N-ethyl-N,N-diisopropylamine; trichlorophosphate / toluene / 24 h / 125 °C 4: N-ethyl-N,N-diisopropylamine / isopropyl alcohol / 20 °C 5: tetra(n-butyl)ammonium hydroxide; potassium carbonate / 60 h / 160 °C 6: N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate / N,N-dimethyl-formamide / 18 h / 45 °C
  • 8
  • [ 1001350-96-4 ]
  • [ 75-75-2 ]
  • [ 1319719-58-8 ]
YieldReaction ConditionsOperation in experiment
In ethanol Crystallization Conditions for Form N- 1 of Compound I MSA Salt:; Method 1 :; [00100] 680mg of Compound I (free base) was dissolved in 4.0ml ethanol. 149mg of methanesulfonic acid (>99% purity) was dissolved in 1.0ml ethanol. The acid solution was added to the free base solution. The resulted mixture was filtered though 0.2μιη nylon syringe filter and evaporated under a N2 purged environment. The solid sample recovered was washed with excess acetonitrile and isolated by vacuum filtration to afford an off-white powder.
  • 10
  • [ 175137-46-9 ]
  • [ 1001350-96-4 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1.1: N-ethyl-N,N-diisopropylamine / isopropyl alcohol / 20 °C 2.1: potassium <i>tert</i>-butylate / 1-methyl-pyrrolidin-2-one / 180 °C 3.1: thionyl chloride / N,N-dimethyl-formamide / 1 h / 5 - 20 °C 3.2: 24 h
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