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[ CAS No. 51463-18-4 ]

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Cat. No.: {[proInfo.prAm]}
2D
Chemical Structure| 51463-18-4
Chemical Structure| 51463-18-4
Structure of 51463-18-4 *Storage: {[proInfo.prStorage]}

Quality Control of [ 51463-18-4 ]

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Alternatived Products of [ 51463-18-4 ]
Alternatived Products of [ 51463-18-4 ]

Product Details of [ 51463-18-4 ]

CAS No. :51463-18-4MDL No. :MFCD16658647
Formula : C9H6ClNO Boiling Point : -
Linear Structure Formula :-InChI Key :N/A
M.W :179.60Pubchem ID :-
Synonyms :

Computed Properties of [ 51463-18-4 ]

TPSA : - H-Bond Acceptor Count : -
XLogP3 : - H-Bond Donor Count : -
SP3 : - Rotatable Bond Count : -

Safety of [ 51463-18-4 ]

Signal Word:WarningClass:
Precautionary Statements:P261-P280-P301+P312-P302+P352-P305+P351+P338UN#:
Hazard Statements:H302-H315-H319-H335Packing Group:
GHS Pictogram:

Application In Synthesis of [ 51463-18-4 ]

  • Downstream synthetic route of [ 51463-18-4 ]

[ 51463-18-4 ] Synthesis Path-Downstream   1~7

YieldReaction ConditionsOperation in experiment
/BRN= 527579/, H2SO4;
entspr. Amid, Δ;
  • 2
  • [ 51463-18-4 ]
  • [ 13154-24-0 ]
  • 8-chloro-3-((triisopropylsilyl)oxy)isoquinoline [ No CAS ]
YieldReaction ConditionsOperation in experiment
62% With 1H-imidazole In N,N-dimethyl-formamide at 0 - 25℃; for 12h; 3 Step 3: 8-chloro-3-((triisopropylsilyl)oxy)isoquinoline To a solution of 8-chloroisoquinolin-3(21])-one (12.0 g, 66.8 mmol) in DMF (15 mL) at0 °C was added imidazole (13.6 g, 200.5 mmol) and chlorotriisopropylsilane (17.2 mL, 80.2mmol). The reaction was stirred at room temperature for 12 h. The reaction mixture wasconcentrated in vacuo. The crude residue was dissolved in EtOAc (70 mL) and washed withH20 (40 mL x 2). The organic layer was dried over anhydrous Na2SO4, filtered and concentrated in vacuo. The crude residue was purified by silica gel column chromatography (petroleum ether)to give the title compound (13.0 g, 62%) as colourless oil. ‘HNMR (400 IVIFIz, DMSO-d6)9.16 (s, 1H), 7.79 (d, J 8.4 Hz, 1H), 7.65 -7.56 (m, 1H), 7.55 -7.47 (m, 1H), 7.23 (s, 1H),1.46- 1.30 (m, 3H), 1.06 (d, J= 7.6 Hz, 18H).
58% With 1H-imidazole In N,N-dimethyl-formamide at 0 - 20℃;
  • 4
  • [ 62373-67-5 ]
  • [ 51463-18-4 ]
YieldReaction ConditionsOperation in experiment
75% With sulfuric acid In water at 0 - 20℃;
With sulfuric acid at 0 - 25℃; 2 Step 2: 8-chloroisoquinolin-3(2H)-one To a solution of concentrated sulfuric acid (100 mL) at 0 °C was added N-(2-chlorobenzyl)-2, 2-dimethoxyacetamide (40.0 g, 164 mmol). The reaction was stirred at room temperature for 16 h. The reaction was poured into ice water and the mixture was basified with ammonium hydroxide to pH 8. The yellow precipitate was filtered off, washed with water, and dried in vacuo to give the title compound (20.0 g, crude) as a yellow solid that required nofurther purification. ‘H NMR (400 IVIHz, CDC13) 9.11 (s, 1H), 7.72 (d, J= 8.4 Hz, 1H), 7.56 -7.52 (m, 1H), 7.45 (d, J 7.6 Hz, 1H), 7.00 (s, 1H).
  • 5
  • [ 51463-18-4 ]
  • 1-(3-(3-(5-(difluoromethyl)-1-methyl-1H-pyrazol-4-yl)isoquinolin-8-yl)-1-(tetrahydro-2H-pyran-4-yl)-6,7-dihydro-1H-pyrazolo[4,3-c]pyridin-5(4H)-yl)ethanone [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1.1: 1H-imidazole / N,N-dimethyl-formamide / 0 - 20 °C 2.1: chloro(2-dicyclohexylphosphino-2’,4’,6’-triisopropyl-1,1‘-biphenyl)[2-(2’-amino-1,1‘-biphenyl’)]palladium(II); XPhos; bis(pinacol)diborane; potassium acetate / 1,4-dioxane / 80 °C 2.2: 90 °C 3.1: tetrabutyl ammonium fluoride / tetrahydrofuran / 20 °C 3.2: 20 °C 3.3: 60 °C
  • 6
  • [ 51463-18-4 ]
  • 1-(3-(3-(3-(difluoromethyl)-1-methyl-1H-pyrazol-4-yl)isoquinolin-8-yl)-1-(tetrahydro-2H-pyran-4-yl)-6,7-dihydro-1H-pyrazolo[4,3-c]pyridin-5(4H)-yl)ethanone [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1.1: 1H-imidazole / N,N-dimethyl-formamide / 0 - 20 °C 2.1: chloro(2-dicyclohexylphosphino-2’,4’,6’-triisopropyl-1,1‘-biphenyl)[2-(2’-amino-1,1‘-biphenyl’)]palladium(II); XPhos; bis(pinacol)diborane; potassium acetate / 1,4-dioxane / 80 °C 2.2: 90 °C 3.1: tetrabutyl ammonium fluoride / tetrahydrofuran / 20 °C 3.2: 20 °C 3.3: 60 °C
  • 7
  • [ 51463-18-4 ]
  • 4-(8-(5-acetyl-1-(tetrahydro-2H-pyran-4-yl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)isoquinolin-3-yl)-1-methyl-1H-pyrazole-5-carbonitrile [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1.1: 1H-imidazole / N,N-dimethyl-formamide / 0 - 20 °C 2.1: chloro(2-dicyclohexylphosphino-2’,4’,6’-triisopropyl-1,1‘-biphenyl)[2-(2’-amino-1,1‘-biphenyl’)]palladium(II); XPhos; bis(pinacol)diborane; potassium acetate / 1,4-dioxane / 80 °C 2.2: 90 °C 3.1: tetrabutyl ammonium fluoride / tetrahydrofuran / 20 °C 3.2: 20 °C 3.3: 60 °C
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