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[ CAS No. 1339780-81-2 ] {[proInfo.proName]}

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Chemical Structure| 1339780-81-2
Chemical Structure| 1339780-81-2
Structure of 1339780-81-2 * Storage: {[proInfo.prStorage]}
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Product Details of [ 1339780-81-2 ]

CAS No. :1339780-81-2 MDL No. :MFCD20318954
Formula : C9H9BrFN Boiling Point : -
Linear Structure Formula :- InChI Key :-
M.W : 230.08 Pubchem ID :-
Synonyms :

Safety of [ 1339780-81-2 ]

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 [ 1339780-81-2 ]

* 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 [ 1339780-81-2 ]

[ 1339780-81-2 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 1258833-77-0 ]
  • [ 1339780-81-2 ]
YieldReaction ConditionsOperation in experiment
98% With sodium tetrahydridoborate In glacial acetic acid at 20℃; for 3h; 14.4 Step 4) 6-bromo-8-fluoro-1,2,3,4-tetrahydroisoquinoline To a solution of 6-bromo-8-fluoroisoquinoline (0.22 g, 0.97 mmol) in HOAc (5 mL) was added NaBH4 (129 mg, 3.41 mmol) in portions. The reaction was stirred at rt for 3 h, then treated with saturated aqueous aHC03 until pH 8 and extracted with DCM (20 mL x 3). The combined organic phases were washed with brine (20 mL), dried over anhydrous Na2S04, filtered, concentrated in vacuo, and dried in vacuo to afford the title compound as a yellow solid (0.22 g, 98%). MS (ESI, pos. ion) m/z: 230 [M + H]+; NMR (400 MHz, i/6-DMSO) δ (ppm): 7.26-7.23 (dd, J= 1.6 Hz, 9.2 Hz, 1H), 7.17 (s, 1H), 3.75 (s, 2H), 2.89-2.86 (t, J= 6.0 Hz, 2H), 2.68-2.65 (t, J= 5.6 Hz, 2H).
98% With sodium tetrahydridoborate; glacial acetic acid at 20℃; for 3h; 14.4 Step 4) Preparation of 6-bromo-8-fluoro-1,2,3,4-tetrahydroisoquinoline 6-bromo-8-fluoroisoquinoline (0.22 g, 0.97 mmol)Was dissolved in acetic acid (5 mL)To this was added sodium borohydride (129 mg, 3.41 mmol) in portions.The reaction solution was stirred at room temperature for 3 hours,After adjusting the pH to 8 with saturated sodium bicarbonate solution,Extraction with dichloromethane (20 mL x3).The combined organic phases were washed with brine (20 mL), dried over anhydrous sodium sulfate, filtered, concentrated under reduced pressure and dried in vacuo.The title compound was obtained as a yellow solid (0.22 g, 98%).
With sodium tetrahydridoborate; glacial acetic acid In tetrahydrofuran at 20℃; for 4h; Cooling with ice;
With sodium tetrahydridoborate; glacial acetic acid at 0 - 20℃; Inert atmosphere; 8.5 Step 5. Compound 7 Compound 6 (2.6 g, 11.5 mmol, 1.0 eq) was dissolved in acetic acid (40 mL), and the temperature was lowered to 0 °C under nitrogen protection, and sodium borohydride (1.3 g, 34.5 mmol, 3.0 eq) was added.The reaction solution was warmed to room temperature and stirred for 2 hours, diluted with water (200 mL), cooled to 0° C., adjusted to pH 10 with sodium carbonate, and extracted with ethyl acetate (3×200 mL).The combined organic phases were washed with saturated sodium chloride solution, dried over anhydrous sodium sulfate, and concentrated to obtain crude compound 7 (3.0 g), which was used in the next reaction without purification.

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