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[ CAS No. 912846-64-1 ]

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2D
Chemical Structure| 912846-64-1
Chemical Structure| 912846-64-1
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Quality Control of [ 912846-64-1 ]

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COA GC NMR CNMR HPLC/UPLC LC-MS

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Product Details of [ 912846-64-1 ]

CAS No. :912846-64-1MDL No. :
Formula :C11H9F4NOBoiling Point :-
Linear Structure Formula :-InChI Key :-
M.W :247.19Pubchem ID :-
Synonyms :

Computed Properties of [ 912846-64-1 ]

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

Safety of [ 912846-64-1 ]

Signal Word:Class
Precautionary Statements:UN#:
Hazard Statements:Packing Group:

Application In Synthesis of [ 912846-64-1 ]

  • Downstream synthetic route of [ 912846-64-1 ]

[ 912846-64-1 ] Synthesis Path-Downstream   1~10

  • 1
  • [ 912846-64-1 ]
  • 2-(3-cyclopropyl-8-methyl[1,2,4]triazolo[3,4-a]phthalazin-6-yl)-7-fluoro-1,2,3,4-tetrahydroisoquinolin-6-amine [ No CAS ]
Reference： [1]Patent: WO2019/133666,2019,A1
  • 2
  • [ 912846-64-1 ]
  • 2-(3-cyclopropyl-9-methyl[1,2,4]triazolo[3,4-a]phthalazin-6-yl)-7-fluoro-1,2,3,4-tetrahydroisoquinolin-6-amine [ No CAS ]
Reference： [1]Patent: WO2019/133666,2019,A1
  • 3
  • [ 912846-64-1 ]
  • C9H11FN2 [ No CAS ]
Reference： [1]Patent: WO2019/133666,2019,A1
  • 4
  • [ 912846-64-1 ]
  • C11H10F4N2O [ No CAS ]
Reference： [1]Patent: WO2019/133666,2019,A1
  • 5
  • [ 912846-64-1 ]
  • [ 912846-66-3 ]
Reference： [1]Patent: WO2006/108709,2006,A1
  • 6
  • [ 912846-64-1 ]
  • N-methyl-7-cyclopropoxy-1,2,3,4-tetrahydroisoquinoline-6-amine [ No CAS ]
Reference： [1]Patent: EP3150592,2017,A1
  • 7
  • [ 912846-64-1 ]
  • N-methyl-7-cyclopropoxy-6-nitro-1,2,3,4-tetrahydroisoquinoline [ No CAS ]
Reference： [1]Patent: EP3150592,2017,A1
  • 8
  • [ 912846-64-1 ]
  • 7-fluoro-2-methyl-6-nitro-1,2,3 ,4-tetrahydroisoquinoline [ No CAS ]
Reference： [1]Patent: EP3150592,2017,A1
  • 9
  • [ 912846-64-1 ]
  • C26H23F2N5 [ No CAS ]
Reference： [1]Patent: CN105254613,2016,A
  • 10
  • [ 912846-64-1 ]
  • [ 406923-91-9 ]
YieldReaction ConditionsOperation in experiment
47% With methanol; sodium carbonate; at 60℃; for 1.0h; The A23-3 (200mg, 0.81mmol), saturated aqueous sodium carbonate (0.8 mL of) and methanol (0.8 mL of) added to the flask, followed by stirring at 60 1h, the methanol was removed spin, water was added to 15mL, extracted three times with ethyl acetate, the combined organic phase was washed once with saturated aqueous sodium chloride solution, dried over anhydrous sodium sulfate,Rotary did a colorless oily compound (58mg, 47%).
With potassium carbonate; In methanol; water; at 20℃; for 5.0h; 2,2,2-Trifluoro-1-(7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)ethanone (500 mg, 2.02 mmol) dissolved in Methanol (10 mL)/Water (4 mL) was added K2CO3 (2.9 g, 20.23 mmol) and continued to stir at room temperature for 5 h. After reaction completion, evaporated off the solvents and the solid was re-diluted with water (50 mL) and extracted with chloroform (3 X 50 mL). The combined organic extracts were then dried over anhydrous sodium sulfate, filtered and concentrated under reduced pressure. A colorless viscous oil was obtained in 71% yield (217 mg) which was used in next step without purification. 1H NMR (400 MHz, DMSO-d6) delta 7.08 (dd, J = 8.4, 6.0 Hz, 1H), 6.91 (td, J = 8.7, 2.8 Hz, 1H), 6.84 (dd, J = 9.8, 2.8 Hz, 1H), 3.81 (s, 2H), 3.07 (br.s, 1H), 2.90 (t, J = 5.9 Hz, 2H), 2.63 (t, J = 6.0 Hz, 2H). LRMS: (M+H)+ = 152.1 m/z. Yield: 71%.
Reference： [1]Patent: CN105254613,2016,A.Location in patent: Paragraph 0171; 0176; 0177
[2]Patent: WO2019/133666,2019,A1.Location in patent: Paragraph 00450

Tags: 912846-64-1; 7-Fluoro-2-(trifluoroacetyl)-1,2,3,4-tetrahydroisoquinoline;

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