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[ CAS No. 3438-55-9 ]

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2D
Chemical Structure| 3438-55-9
Chemical Structure| 3438-55-9
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Product Details of [ 3438-55-9 ]

CAS No. :3438-55-9MDL No. :MFCD00234032
Formula : C5H4BrClN2 Boiling Point : 271.2°C at 760 mmHg
Linear Structure Formula :-InChI Key :-
M.W :207.46Pubchem ID :4077921
Synonyms :

Computed Properties of [ 3438-55-9 ]

TPSA : 25.8 H-Bond Acceptor Count : 2
XLogP3 : 2.3 H-Bond Donor Count : 0
SP3 : 0.20 Rotatable Bond Count : 0

Safety of [ 3438-55-9 ]

Signal Word:WarningClass:N/A
Precautionary Statements:P261-P280-P305+P351+P338UN#:N/A
Hazard Statements:H302-H315-H319-H332-H335Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 3438-55-9 ]

  • Upstream synthesis route of [ 3438-55-9 ]
  • Downstream synthetic route of [ 3438-55-9 ]

[ 3438-55-9 ] Synthesis Path-Upstream   1~6

  • 1
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  • [ 98-80-6 ]
  • [ 3435-25-4 ]
  • [ 1353577-56-6 ]
  • [ 1353577-55-5 ]
  • [ 1353577-57-7 ]
Reference: [1] Synthesis, 2011, # 21, p. 3496 - 3506
  • 2
  • [ 3438-55-9 ]
  • [ 1439-09-4 ]
Reference: [1] Chemical and Pharmaceutical Bulletin, 1987, vol. 35, # 8, p. 3119 - 3126
  • 3
  • [ 3438-52-6 ]
  • [ 3438-55-9 ]
Reference: [1] Synthesis, 2011, # 10, p. 1529 - 1531
  • 4
  • [ 3524-87-6 ]
  • [ 3438-55-9 ]
Reference: [1] Synthesis, 2011, # 10, p. 1529 - 1531
  • 5
  • [ 124-41-4 ]
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  • [ 4319-87-3 ]
YieldReaction ConditionsOperation in experiment
79% at 20℃; for 1 h; Sodium methoxide (25 wtpercent solution in methanol, 1.83 mL, 16.0 mmol) was added to a solution of 5-bromo-4-chloro-6-methylpyrimidine (1.85 g, 8.92 mmol) in methanol (50 mL) and the reaction was stirred at ambient temperature for 1 hour. The reaction was quenched by the addition of pH 7 buffer. The majority of the methanol was removed under reduced pressure. The aqueous portion was diluted with water and was extracted with diethyl ether three times. The combined organic extracts were washed with brine, dried over Na2S04, filtered and concentrated to afford 5- bromo-4-methoxy-6-methylpyrimidine (1.43 g, 79percent). 1H NMR (CDC13, 400 MHz): 8 8.48 (s, 1H); 4.00 (s, 3H); 2.54 (s, 3H). MS (ES) 204(M+1).
Reference: [1] Patent: WO2005/105814, 2005, A1, . Location in patent: Page/Page column 67-68
  • 6
  • [ 67-56-1 ]
  • [ 3438-55-9 ]
  • [ 4319-87-3 ]
Reference: [1] Synthesis, 2011, # 10, p. 1529 - 1531
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