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[ CAS No. 885223-63-2 ]

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2D
Chemical Structure| 885223-63-2
Chemical Structure| 885223-63-2
Structure of 885223-63-2 *Storage: {[proInfo.prStorage]}

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Alternatived Products of [ 885223-63-2 ]

Product Details of [ 885223-63-2 ]

CAS No. :885223-63-2MDL No. :MFCD16159813
Formula : C8H8BrClN2O2 Boiling Point : -
Linear Structure Formula :-InChI Key :-
M.W :279.52Pubchem ID :-
Synonyms :

Computed Properties of [ 885223-63-2 ]

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

Safety of [ 885223-63-2 ]

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Application In Synthesis of [ 885223-63-2 ]

  • Upstream synthesis route of [ 885223-63-2 ]
  • Downstream synthetic route of [ 885223-63-2 ]

[ 885223-63-2 ] Synthesis Path-Upstream   1~1

  • 1
  • [ 885223-63-2 ]
  • [ 228251-24-9 ]
YieldReaction ConditionsOperation in experiment
45% With lithium aluminium tetrahydride In tetrahydrofuran at -10 - 20℃; Preparation of S-bromo^-chloronicotinaldehyde (D-2-3).To a stirred solution of compound D-2-2 (25 g, 89.4 mmol) in dry THF (200 mL) was added LiAIH4 (1.7 g, 27 mmol) at -10 0C under N2 atmosphere. After the addition, the reaction mixture was allowed to warm up to room temperature and stirred overnight. TLC (petroleum ether/EtOAc 5:1 ) indicated complete consumption of starting material. To the reaction mixture was added 1 N KHSO4 (200 mL) and extracted with EtOAc (300 mL><3). The combined organic layers were washed with saturated aqueous NaCI (200 mL), dried over Na2SO4 and concentrated in vacuo to yield crude compound D-2-3, which was purified by column chromatography (silica gel, petroleum ether/EtOAc 30:1 ) to yield pure compound D-2-3 (8.0 g, 45percent) as a white solid.
Reference: [1] Patent: WO2009/16460, 2009, A2, . Location in patent: Page/Page column 104
[2] Patent: WO2017/133701, 2017, A1, . Location in patent: Paragraph 192; 193
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