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[ CAS No. 885523-25-1 ] {[proInfo.proName]}

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Product Details of [ 885523-25-1 ]

CAS No. :885523-25-1 MDL No. :MFCD07781794
Formula : C8H5ClN2O2 Boiling Point : -
Linear Structure Formula :- InChI Key :ZEAGEYGRTLYTPF-UHFFFAOYSA-N
M.W : 196.59 Pubchem ID :24728396
Synonyms :

Safety of [ 885523-25-1 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P280-P301+P312-P302+P352-P305+P351+P338 UN#:N/A
Hazard Statements:H302-H315-H319-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 885523-25-1 ]

* 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 [ 885523-25-1 ]

[ 885523-25-1 ] Synthesis Path-Downstream   1~16

  • 1
  • [ 885523-25-1 ]
  • [ 1168721-36-5 ]
YieldReaction ConditionsOperation in experiment
66% With borane In tetrahydrofuran at 0 - 20℃; A52.A A solution of 4-chloro- lH-indazole-6-carboxylic acid (100 mg, 0.5 mmol) inTHF (1 mL) was cooled to 0°C under argon. Borane (1.4 mL, 1.4 mmol) was added dropwise and the solution was stirred overnight at rt. The reaction was quenched with ice cold sat. sodium bicarbonate, extracted with ethyl acetate (3 x 10 mL), dried over MgSO4 and concentrated to give the title compound as a white solid (60 mg, 66%). MS ESI [M + H]+, calcd for [C8H7ClN2O +H]+ 183.0; found m/z 183.0.
  • 2
  • [ 885518-99-0 ]
  • [ 885523-25-1 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: triethylamine; dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2 / 12 h / 80 °C 2: water; lithium hydroxide / methanol / 12 h / 50 °C
  • 3
  • (E)-(tert-butoxy)-N',N-bis(propan-2-yl)methanimidamide [ No CAS ]
  • [ 885523-25-1 ]
  • C12H13ClN2O2 [ No CAS ]
YieldReaction ConditionsOperation in experiment
34% In toluene at 80℃; for 48h; Inert atmosphere; I.1 Intermediate compound 45: A mixture of intermediate compound 44 (3 g, 15.26 mmol, 1 eq) and tert-butyl (E)-N,N'-diisopropylcarbamimidate (12.23 g, 61.04 mmol, 4 eq) in toluene (50 mL) was stirred at 80 °C for 48 hrs under N2 atmosphere. The reaction mixture was poured into water (50 mL) and extracted with ethyl acetate (3x30 mL), the combined organic phase was dried and concentrated under vacuum. The residue was purified silica on column chromatography (petroleum ether / ethyl acetate = 5 / 1) to give the intermediate Compound 45 (1.3 g, 34 % yield) as a yellow solid. 1H NMR (400 MHz, CDC13-d) d 10.35-10.49 (m, 1 H) 8.21 (s, 1 H) 8.11 (s, 1 H) 7.78 (s, 1 H) 1.64 (s, 9 H)
  • 4
  • 4-chloro-1H-indazole-6-carboxylic acid methyl ester [ No CAS ]
  • [ 885523-25-1 ]
YieldReaction ConditionsOperation in experiment
97% With water; lithium hydroxide In methanol at 50℃; for 12h; I.1 Intermediate compound 44: A mixture of intermediate compound 43 (3.3 g, 15.67 mmol, 1 eq) and LiOH (1.13 g, 47.00 mmol, 3 eq) in MeOH (30 mL) and H20 (6 mL) was stirred at 50 °C for 12 hrs. The reaction mixture was acidified by IN HC1 to pH 5, then the mixture was concentrated under vacuum to give a yellow solid. The yellow solid was triturated with water(100 mL) and filtered, the filter cake was dried under vacuum to give the intermediate compound 44 (3 g, 97 % yield) as a white solid. LCMS (ESI position ion) m/z: 195.0 (M+H)+ (calculated: 196.0)
  • 5
  • [ 885523-25-1 ]
  • C31H40ClN5O6 [ No CAS ]
  • C32H42ClN5O6 [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 7 steps 1.1: toluene / 48 h / 80 °C / Inert atmosphere 2.1: potassium iodide; potassium carbonate / acetonitrile / 12 h / 60 °C 3.1: ammonium fluoride / methanol / 2 h / 80 °C 4.1: triethylamine / dichloromethane / 2 h / 0 - 20 °C 5.1: potassium iodide; potassium carbonate / acetonitrile / 12 h / 60 °C 6.1: hydrogenchloride / 1,4-dioxane / 1 h / 30 °C 7.1: dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride / dichloromethane / 30 °C 7.2: DAICEL CHIRALPAK IC (2500*30mm,10μm) / Resolution of racemate; Supercritical conditions
  • 6
  • [ 885523-25-1 ]
  • C32H42ClN5O6 [ No CAS ]
  • C32H42ClN5O6 [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 7 steps 1.1: toluene / 48 h / 80 °C / Inert atmosphere 2.1: potassium iodide; potassium carbonate / acetonitrile / 12 h / 60 °C 3.1: ammonium fluoride / methanol / 12 h / 80 °C 4.1: triethylamine / dichloromethane / 2 h / 0 - 20 °C 5.1: potassium iodide; potassium carbonate / acetonitrile / 12 h / 60 °C 6.1: hydrogenchloride / 1,4-dioxane / 6 h / 30 °C 7.1: dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride / dichloromethane / 30 °C 7.2: REGIS (s,s) WHELK-01(250*50mm, 10μm) / Resolution of racemate; Supercritical conditions
  • 7
  • [ 885523-25-1 ]
  • C34H49ClN2O8Si [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: toluene / 48 h / 80 °C / Inert atmosphere 2: potassium iodide; potassium carbonate / acetonitrile / 12 h / 60 °C
  • 8
  • [ 885523-25-1 ]
  • C34H49ClN2O8Si [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: toluene / 48 h / 80 °C / Inert atmosphere 2: potassium iodide; potassium carbonate / acetonitrile / 12 h / 60 °C
  • 9
  • [ 885523-25-1 ]
  • C28H35ClN2O8 [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1: toluene / 48 h / 80 °C / Inert atmosphere 2: potassium iodide; potassium carbonate / acetonitrile / 12 h / 60 °C 3: ammonium fluoride / methanol / 2 h / 80 °C
  • 10
  • [ 885523-25-1 ]
  • C29H37ClN2O10S [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 4 steps 1: toluene / 48 h / 80 °C / Inert atmosphere 2: potassium iodide; potassium carbonate / acetonitrile / 12 h / 60 °C 3: ammonium fluoride / methanol / 2 h / 80 °C 4: triethylamine / dichloromethane / 2 h / 0 - 20 °C
  • 11
  • [ 885523-25-1 ]
  • C41H60ClN5O9 [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 5 steps 1: toluene / 48 h / 80 °C / Inert atmosphere 2: potassium iodide; potassium carbonate / acetonitrile / 12 h / 60 °C 3: ammonium fluoride / methanol / 2 h / 80 °C 4: triethylamine / dichloromethane / 2 h / 0 - 20 °C 5: potassium iodide; potassium carbonate / acetonitrile / 12 h / 60 °C
  • 12
  • [ 885523-25-1 ]
  • C32H44ClN5O7*(x)ClH [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 6 steps 1: toluene / 48 h / 80 °C / Inert atmosphere 2: potassium iodide; potassium carbonate / acetonitrile / 12 h / 60 °C 3: ammonium fluoride / methanol / 2 h / 80 °C 4: triethylamine / dichloromethane / 2 h / 0 - 20 °C 5: potassium iodide; potassium carbonate / acetonitrile / 12 h / 60 °C 6: hydrogenchloride / 1,4-dioxane / 1 h / 30 °C
  • 13
  • [ 885523-25-1 ]
  • C28H35ClN2O8 [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1: toluene / 48 h / 80 °C / Inert atmosphere 2: potassium iodide; potassium carbonate / acetonitrile / 12 h / 60 °C 3: ammonium fluoride / methanol / 12 h / 80 °C
  • 14
  • [ 885523-25-1 ]
  • C29H37ClN2O10S [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 4 steps 1: toluene / 48 h / 80 °C / Inert atmosphere 2: potassium iodide; potassium carbonate / acetonitrile / 12 h / 60 °C 3: ammonium fluoride / methanol / 12 h / 80 °C 4: triethylamine / dichloromethane / 2 h / 0 - 20 °C
  • 15
  • [ 885523-25-1 ]
  • C41H60ClN5O9 [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 5 steps 1: toluene / 48 h / 80 °C / Inert atmosphere 2: potassium iodide; potassium carbonate / acetonitrile / 12 h / 60 °C 3: ammonium fluoride / methanol / 12 h / 80 °C 4: triethylamine / dichloromethane / 2 h / 0 - 20 °C 5: potassium iodide; potassium carbonate / acetonitrile / 12 h / 60 °C
  • 16
  • [ 885523-25-1 ]
  • C32H44ClN5O7*(x)ClH [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 6 steps 1: toluene / 48 h / 80 °C / Inert atmosphere 2: potassium iodide; potassium carbonate / acetonitrile / 12 h / 60 °C 3: ammonium fluoride / methanol / 12 h / 80 °C 4: triethylamine / dichloromethane / 2 h / 0 - 20 °C 5: potassium iodide; potassium carbonate / acetonitrile / 12 h / 60 °C 6: hydrogenchloride / 1,4-dioxane / 6 h / 30 °C
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