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[ CAS No. 1187386-40-8 ]

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Chemical Structure| 1187386-40-8
Chemical Structure| 1187386-40-8
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Product Details of [ 1187386-40-8 ]

CAS No. :1187386-40-8 MDL No. :MFCD12913994
Formula : C9H13BrClN3 Boiling Point : -
Linear Structure Formula :- InChI Key :-
M.W :278.58 g/mol Pubchem ID :-
Synonyms :

Safety of [ 1187386-40-8 ]

Signal Word:Warning Class:
Precautionary Statements:P280-P305+P351+P338 UN#:
Hazard Statements:H302-H315-H319-H335 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 1187386-40-8 ]

  • Downstream synthetic route of [ 1187386-40-8 ]

[ 1187386-40-8 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 1187386-40-8 ]
  • [ 5368-37-6 ]
  • [ 2231438-01-8 ]
YieldReaction ConditionsOperation in experiment
50% With 2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane-2,4,6-trioxide; N-ethyl-N,N-diisopropylamine In ethyl acetate; N,N-dimethyl-formamide at 20℃; for 12h; 48.3 Step-3 To a stirred solution of 1-(5-bromo-2-pyridyl)piperazine hydrochloride (2.1 g, 8.12 mmol) inDMF (20 mL), DIPEA (3.8 mL, 22.01 mmol), 3-(4-oxo-3H-quinazolin-2-yl)propanoic acid( 1.6 g, 7.34 mmol) followed by 50% T 3P solution in EtOAc (7 mL, 11.00 mmol) were addedat RT and stirred for 12 h (LCMS indicated complete consumption of starting material). Thereaction mixture was quenched with ice-water (200 mL), stirred for 2 h, solid obtained wasfiltered washed with water (50 mL), acetone (20 mL) and dried under vacuo to obtain 2-[3-[ 4-(5-bromo-2-pyridyl)piperazin-1-yl]-3-oxo-propyl]-3H-quinazolin-4-one (1.6 g, 50%) as anoff-white solid.LCMS (ESI+ ): m/z: 442.59 [M+Ht.
  • 2
  • [ 153747-97-8 ]
  • 1-(5-bromopyridin-2-yl)piperazine hydrochloride [ No CAS ]
YieldReaction ConditionsOperation in experiment
93% With hydrogenchloride; In 1,4-dioxane; at 20℃; for 4h; To a stirred solution of <strong>[153747-97-8]tert-butyl 4-(5-bromo-2-pyridyl)piperazine-1-carboxylate</strong> (3 g, 8.77mmol) in dioxane (30 mL), 4 N HCl in dioxane (10 mL) was added at RT and stirred for 4 h(TLC indicated complete consumption of starting material). EtOAc (50 mL) was added to thereaction mixture, stirred for 30 min., the solid was filtered, washed with ether (20 mL) anddried under reduced pressure to afford 1-(5-bromo-2-pyridyl)piperazine hydrochloride (2.1 g,93%) as an off-white solid. LCMS (ESI+ ): m/z: 242.43 [M+Ht.
With hydrogenchloride; In 1,4-dioxane; methanol; dichloromethane; at 20℃; To a solution of tert10 butyl 4-(5-bromopyridin-2-yl)piperazine-1-carboxylate (5 g, 14.61 mmol) in DCM (60 mL) andMeOH (18 mL), was added HC1 (4.0 M in dioxanes, 18 mL, 72 mmol). The reaction mixture was stirred at room temperature overnight. The reaction was diluted with DCM and washed with 2N NaOH. The aqueous layer was extracted with DCM 2x and the combined organic layers were dried over Na2SO4, filtered and concentrated under reduce pressure to afford 514a (3.2 g,90.4%). MS (ESI) m/z 242.1 ([M+Hj . 1HNMR (400 MI-Tz, Chloroform-d) oe 8.18 (dd, J = 2.6,0.7 Hz, 1H), 7.52 (dd, J = 9.0, 2.6 Hz, 1H), 6.53 (dd, J = 9.1, 0.7 Hz, 1H), 3.54 - 3.40 (m, 4H),3.09 -2.87 (m, 4H).
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