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Chemical Structure| 853908-81-3 Chemical Structure| 853908-81-3

Structure of 853908-81-3

Chemical Structure| 853908-81-3

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Product Details of [ 853908-81-3 ]

CAS No. :853908-81-3
Formula : C9H3BrClFN2O2
M.W : 305.49
SMILES Code : O=[N+](C1=C(Cl)C2=CC(Br)=C(F)C=C2N=C1)[O-]
MDL No. :MFCD29047075
InChI Key :IAWVWGGVXZPWRQ-UHFFFAOYSA-N
Pubchem ID :53630350

Safety of [ 853908-81-3 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H315-H319-H332-H335
Precautionary Statements:P261-P280-P305+P351+P338

Application In Synthesis of [ 853908-81-3 ]

* 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 [ 853908-81-3 ]

[ 853908-81-3 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 118753-66-5 ]
  • [ 853908-81-3 ]
  • tert-butyl 4-((6-bromo-7-fluoro-3-nitroquinolin-4-yl)amino)piperazine-1-carboxylate [ No CAS ]
YieldReaction ConditionsOperation in experiment
30 g With N-ethyl-N,N-diisopropylamine; In N,N-dimethyl-formamide; at 0 - 20℃; for 2.0h; [00229] Step-3: Synthesis tert-butyl 4-((6-bromo-7-fluoro-3-nitroquinolin-4- yl)amino) piperazine- 1 -carboxylate, 4: [00230] DIPEA (26.72mL, 0.15712mo1) was added to a stirred solution of 6- Bromo-4-chloro-7-fluoro-3-nitroquinoline, 9 (24g, 0.07856mo1) and <strong>[118753-66-5]tert-butyl 4-aminopiperazine-1-carboxylate</strong> (18.97g, 0.09427mo1) in DMF, 200mL at 0 00. The reaction mixture was allowed to room temperature and stirred for 2h. Reaction was monitored by TLC (30%EtOAc in hexane), after completion of reaction, diluted with water (l5OmL), the precipitated yellow solid was filtered-off, washed with water and dried under vacuum. The crude material was purified by column chromatography by using5i02 (15% EtOAc in Hexane) to afford of tert-butyl4-((6-bromo-7-fluoro-3-nitroquinolin-4- yl) amino) piperazine-1-carboxylate, 4 (30g, 81%). 1H NMR (300MHz, CDCI3): O 10.42 (5, 1H), 10.22-10.19 (d, 1H), 9.36 (5, 1H), 7.67-7.64 (d, 1H), 4.35-4.25 (t, 2H), 3.46-3.08 (t, 4H), 2.84-2.65 (t, 2H), 1.50 (5, 9H); LCMS: mlz= 469.9 (M+1) and 471.9 (M+2).
  • 2
  • [ 853908-81-3 ]
  • [ 610791-05-4 ]
  • 1-(tert-butyl) 3-methyl 3-(6-bromo-7-fluoro-3-nitroquinolin-4-yl)azetidine-1,3-dicarboxylate [ No CAS ]
 

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