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[ CAS No. 1454301-28-0 ]

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2D
Chemical Structure| 1454301-28-0
Chemical Structure| 1454301-28-0
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Product Details of [ 1454301-28-0 ]

CAS No. :1454301-28-0MDL No. :MFCD27578176
Formula : C11H16BrN3 Boiling Point : -
Linear Structure Formula :-InChI Key :-
M.W :270.17Pubchem ID :-
Synonyms :

Computed Properties of [ 1454301-28-0 ]

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

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Application In Synthesis of [ 1454301-28-0 ]

  • Downstream synthetic route of [ 1454301-28-0 ]

[ 1454301-28-0 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 109-01-3 ]
  • [ 375368-83-5 ]
  • [ 1454301-28-0 ]
YieldReaction ConditionsOperation in experiment
77.4% at 110℃; for 12h; A tenth exemplary Intermediate D, Intermediate D-10, may be used to synthesize compounds of formula I, wherein R1 is heteroaryl substituted with two R4 substituents. A mixture of 3 -bromo-6-fluoro-2-m ethyl-pyridine (1.00 g, 5.26 mmol, 1.00 equiv) and /V- methylpiperazine (685 mg, 6.84 mmol, 759 pL, 1.30 equiv) was stirred at 110 C for 12 h. The mixture was diluted with ethyl acetate (50.0 mL), washed with brine (20.0 mL x 3), dried over anhydrous Na2S04, filtered and concentrated to provide l-(5-bromo-6-methyl-2-pyridyl)-4- methyl-piperazine (1.10 g, 4.07 mmol, 77.4% yield) as a yellow solid. LCMS [M+l]: 272.1.
53.7% With triethylamine; In ethanol; at 70℃; for 186h; PREPARATION x10: 1-(5-Bromo-6-methylpyridin-2-yl)-4-methylpiperazine [0184] 3-Bromo-6-fluoro-2-methylpyridine (500 mg, 2.63 mmol), 1-methylpiperazine (343 mg, 3.42 mmol), Et3N (1.100 mL, 7.89 mmol) and EtOH (3 mL) were mixed in a 4 mL vial equipped with a magnetic stir bar to give a colorless solution. The mixture was stirred for 18 hours at 70C, after which 1-methylpiperazine (343 mg, 3.42 mmol) was added and heating was continued for 1 week. The reaction mixture was subsequently partitioned between water (30 mL) and EtOAc (40 mL). The layers were separated and the aqueous layer was back- extracted with EtOAc (40 mL). The combined organic layers were washed with brine (20 mL). The organic layer was dried over Na2S04, filtered, and concentrated to yield a yellow syrup. The residue was purified via flash chromatography (12 g column), eluting with 0-80%> EtOAc in heptanes. The pure fractions were combined and concentrated to give the title compound as a clear liquid (382 mg, 53.7%).
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