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[ CAS No. 1150271-74-1 ]

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Chemical Structure| 1150271-74-1
Chemical Structure| 1150271-74-1
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Product Details of [ 1150271-74-1 ]

CAS No. :1150271-74-1 MDL No. :MFCD11855987
Formula : C13H17BBrFO2 Boiling Point : -
Linear Structure Formula :- InChI Key :-
M.W :314.99 g/mol Pubchem ID :46739422
Synonyms :

Safety of [ 1150271-74-1 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P305+P351+P338 UN#:N/A
Hazard Statements:H302-H319 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 1150271-74-1 ]

  • Downstream synthetic route of [ 1150271-74-1 ]

[ 1150271-74-1 ] Synthesis Path-Downstream   1~9

  • 1
  • [ 903895-56-7 ]
  • [ 1150271-74-1 ]
  • 2
  • [ 1150271-74-1 ]
  • 2-(4-(azidomethyl)-3-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane [ No CAS ]
  • 3
  • [ 1150271-74-1 ]
  • [ 1418201-59-8 ]
  • 4
  • [ 1150271-74-1 ]
  • [ 1418201-60-1 ]
  • 5
  • [ 1150271-74-1 ]
  • [ 1418201-61-2 ]
  • 6
  • [ 5325-20-2 ]
  • [ 1150271-74-1 ]
  • 4-(2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)-2H-benzo[b][1,4]thiazin-3(4H)-one [ No CAS ]
YieldReaction ConditionsOperation in experiment
With potassium carbonate; In N,N-dimethyl-formamide; at 60.0℃; for 3h;Inert atmosphere; j00634j 2-(4-(Bromomethyl)-3 -fluorophenyl)-4,4,5,5-tetramethyl- 1,3 ,2-dioxaborolane was prepared in three steps from 4-bromo-2-fluoro-1-methylbenzene following the procedure of White, J.R., et al., Tetrahedron Leu. 2010, 51, 3913-3917. In a dry round bottom flask equipped with a stir bar and septum, 2H-benzo[b][1,4]thiazin-3(4H)-one (90 mg, 0.545 mmol), 2-(4-(bromomethyl)-3 -fluorophenyl)-4,4,5,5 -tetramethyl- 1,3,2- dioxaborolane (150 mg, 0.476 mmol), and potassium carbonate (90 mg, 0.652 mmol) were massed. The flask was purged with argon then charged with dry DMF (3 mL). The reaction was stirred at 60 C and monitored by LCMS. After 3 h, reaction was deemed to be complete and cooled to room temperature. The reaction was diluted with ethyl acetate (20 mL), and the organic layer was washed with saturated NaHCO3. The two layers were separated and the aqueous layer was extracted with ethyl acetate (3x20 mL). The organic extracts were combined then washed with saturated LiC1 solution (20 mL) and brine (20 mL). The organic portion was dried over MgSO4, filtered, and concentrated in vacuo. The crude residue was purified by flash column chromatography on silica gel, eluting with hexanes/ethyl acetate to afford 4-(2-fluoro-4-(4,4,5 ,5 -tetramethyl- 1,3 ,2-dioxaborolan-2- yl)benzyl)-2H-benzo[b][1,4]thiazin-3(4H)-one
  • 7
  • [ 1150271-74-1 ]
  • N-methyl [2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl]methylcarbamate [ No CAS ]
  • 8
  • [ 1150271-74-1 ]
  • [ 74-89-5 ]
  • 1-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-N-methylmethanamine [ No CAS ]
YieldReaction ConditionsOperation in experiment
In tetrahydrofuran; for 3h; 2.0 M Methylamine in THF (3 mL, 6 mmol) was added dropwise to a solution of <strong>[1150271-74-1]2-[4-(bromomethyl)-3-fluorophenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane</strong> (Combi-Blocks, cat No.PN-5656: 200 mg, 0.6 mmol) in THF (10 mL) over 1 hour. After stirring for an additional 2 h, the reaction was concentrated and used without further purification. LC-MS calculated for C14H22BFNO2 (M+H)+: m/z=266.2. found 266.2.
In tetrahydrofuran; at 20.0℃; for 2h; To a solution of 2.0 M methylamine in tetrahydrofuran (3 mL, 6 mmol) was added dropwise a solution of <strong>[1150271-74-1]2-[4-(bromomethyl)-3-fluorophenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane</strong> (Combi-Blocks, cat PN-5654: 200 mg, 0.6 mmol) in tetrahydrofuran (10 mL). The reaction mixture was stirred at room temperature for 2 h, then concentrated. The crude product was used in the next step without further purification
In tetrahydrofuran; at 20.0℃; for 2h; Step 1: 1-[2-fluoro-4-(4,4, 5, 5-tetramethyl-1, 3, 2-dioxaborolan-2-yl)phenyl]-N-methylmethanamine To a solution of 2.0 M methylamine in tetrahydrofuran (3 mL, 6 mmol) was added dropwise a solution of <strong>[1150271-74-1]2-[4-(bromomethyl)-3-fluorophenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane</strong> (Combi-Blocks, catNo.PN-5654: 200 mg, 0.6 mmol) in tetrahydrofuran (10 mL). The reaction mixture was stirred at room temperature for 2 h, then concentrated. The crude product was used in the next step without further purification.
  • 9
  • [ 1150271-74-1 ]
  • [ 133240-06-9 ]
  • [ 76-05-1 ]
  • (4-((2-ethyl-5,7-dimethyl-3H-imidazo[4,5-b]pyridin-3-yl)methyl)-3-fluorophenyl)boronic acid trifluoroacetate [ No CAS ]
YieldReaction ConditionsOperation in experiment
Intermediate 264a was prepared in a similar manner as for Intermediate OOld, replacing 2-(4-(bromomethyl)phenyl)-4,4,5,5-tetramethyl-l,3,2-dioxaborolane with 2- (4-(bromomethyl)-3-fluorophenyl)-4,4,5,5-tetramethyl-l,3,2-dioxaborolane. Intermediate 264a was purified by preparative HPLC (method E). LC-MS (Method A5): 0.62 min, [M + H]+ = 328.0; H NMR (400 MHz, MeOH-d4 delta 7.54 - 7.42 (m, 2H), 7.39 (s, IH), 7.30 (t, 7=7.6 Hz, IH), 5.83 (s, 2H), 3.26 (q, 7=7.7 Hz, 2H), 2.72 - 2.66 (m, 6H), 1.41 (t, 7=7.6 Hz, 3H).
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