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[ CAS No. 1129541-62-3 ] {[proInfo.proName]}

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Chemical Structure| 1129541-62-3
Chemical Structure| 1129541-62-3
Structure of 1129541-62-3 * Storage: {[proInfo.prStorage]}
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Product Details of [ 1129541-62-3 ]

CAS No. :1129541-62-3 MDL No. :MFCD12546522
Formula : C10H11BrFNO Boiling Point : -
Linear Structure Formula :- InChI Key :-
M.W : 260.10 Pubchem ID :-
Synonyms :

Safety of [ 1129541-62-3 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P280-P305+P351+P338 UN#:N/A
Hazard Statements:H302 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 1129541-62-3 ]

* 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 [ 1129541-62-3 ]

[ 1129541-62-3 ] Synthesis Path-Downstream   1~6

  • 2
  • [ 1129541-62-3 ]
  • [ 73183-34-3 ]
  • [ 1129541-03-2 ]
YieldReaction ConditionsOperation in experiment
With dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2; potassium acetate In dimethyl sulfoxide at 100℃; Inert atmosphere;
YieldReaction ConditionsOperation in experiment
55.6% With potassium <i>tert</i>-butylate In toluene at 105℃; General procedure: To a solution of 1,3-dibromo-5-fluorobenzene (LXI) (2.0 g, 7.88 mmol) in toluene (20 ml) was added potassium t-butoxide (2.65 g, 23 6 mmol) and 1-methylpiperazine (1.75 mL, 15.8 mmol). The reaction was heated at 105° C. overnight. The toluene was removed under vacuum and the residue was dissolved in water and extracted with EtOAc. The organic phase was separated, washed with brine, dried over MgSO4 and concentrated to dryness. The crude product was purified on a silica gel column (1:99 MeOH:CHCl3→7:93 MeOH:CHCl3) to produce 1-(3-bromo-5-fluorophenyl)-4-methylpiperazine (LXII) as an orange oil (800 mg, 2.93 mmol, 37.2% yield). 1H NMR (DMSO-d6, 500 MHz) δ ppm 2.20 (s, 3H), 2.39 (t, J=5 Hz, 4H), 3.33 (t, J=5 Hz, 4H), 6.74-6.81 (m, 2H), 6.91 (s, 1H); ESIMS found for C11H14BrFN2 m/z 273 (M+H).
  • 4
  • [ 5414-19-7 ]
  • [ 134168-97-1 ]
  • [ 1129541-62-3 ]
YieldReaction ConditionsOperation in experiment
50% With N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 90 - 110℃; for 20h; 310.1 Step 1: 4-(3-bromo-5-fluoro-phenyl)morpholine A solution of 3-bromo-5-fluoroaniline (1.00 g, 5.26 mmol), 1-bromo-2-(2- bromoethoxy)ethane (0.79 mL, 6.32 mmol) and N-ethyl-N-isopropyl-propan-2-amine (2.8 mL, 15.8 mmol) in DMF (20 mL) were stirred at 90 oC deg C for 16 hours. More 1-bromo-2-(2-bromoethoxy)ethane (0.40 mL, 3.16 mmol) was added and mixture was heated at 110 oC for 4 hours. The reaction was cooled to room temperature, diluted with ethyl acetate (100 mL) and washed with water (1 x 50 mL) followed by brine (5 x 50 mL). The organic layer was dried over sodium sulfate, concentrated in vacuo to give the crude material as a black oil. The residue was purified by chromatography on SiO2 (Biotage KP-NH 30 g , eluting with EtOAc:Heptane 5 to 50 %) gave a mixture of desired product and starting material as an orange oil which crystallised upon standing. Further chromatography on SiO2 (Biotage KP-Sil 25 g eluting with EtOAc:Heptane, 0 to 30 %) which gave the title product (740 mg, 50%) as a pale yellow solid. Method B: LC-MS (electrospray): m/z = 260.4/262.4 (M+H)+, RT = 1.74 min
  • 5
  • [ 1129541-62-3 ]
  • 2-bromo-6-fluoro-4-morpholinobenzaldehyde [ No CAS ]
YieldReaction ConditionsOperation in experiment
65% With trichlorophosphate In N,N-dimethyl-formamide at 0 - 60℃; for 16h; 310.2 Step 2: 2-bromo-6-fluoro-4-morpholino-benzaldehyde A cold (0 oC) solution of 4-(3-bromo-5-fluoro-phenyl)morpholine (300 mg, 1.15 mmol) in DMF (anhydrous, 5 mL) was treated dropwise with phosphoryl trichloride (0.13 mL, 1.27 mmol). Once the addition was complete the mixture was warmed 60 oC and stirred for 16 hours. The reaction was quenched via dropwise addition of the reaction mixture into an ice cold saturated solution of sodium bicarbonate (10 mL). The aqueous was extracted with ethyl acetate (3 x 10 mL) and the combined organics were washed with brine (3 x 10 mL) dried over sodium sulfate and concentrated in vacuo to give the title compound (268 mg, 65%) as a pale yellow solid. Method A: LC-MS (electrospray): m/z = 287.9/289.9 (M+H)+, RT = 1.10 min
  • 6
  • [ 1129541-62-3 ]
  • 4-(4-bromo-1H-indazol-6-yl)morpholine [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: trichlorophosphate / N,N-dimethyl-formamide / 16 h / 0 - 60 °C 2: hydrazine / 1,4-dioxane / 16 h / 100 °C
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