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Home > Encyclopedia > 2-Chloro-5-(phenylmethoxy)-pyrimidine

2-Chloro-5-(phenylmethoxy)-pyrimidine

2-Chloro-5-(phenylmethoxy)-pyrimidine structure

2-Chloro-5-(phenylmethoxy)-pyrimidine 

structure
  • CAS No:

    138274-14-3

  • Formula:

    C11H9ClN2O

  • Chemical Name:

    2-Chloro-5-(phenylmethoxy)-pyrimidine

  • Synonyms:

    5-(benzyloxy)-2-chloropyrimidine;5-Benzyloxy-2-chloropyrimidine;2-CHLORO-5-(PHENYLMETHOXY)-PYRIMIDINE;Pyrimidine, 2-chloro-5-(phenylmethoxy)-;2-chloro-5-phenylmethoxypyrimidine;Pyrimidine,2-chloro-5-(phenylmethoxy)-;ACMC-1C6L6;KSC521C7P;SCHEMBL457443;CTK4C1177

  • Categories:

    Pharmaceutical Intermediates  >  Heterocyclic Compound

2-Chloro-5-(phenylmethoxy)-pyrimidine Basic Attributes

220.65496

220.040344

DTXSID00659431

2933599090

Characteristics

35

2.6

Yellow power

1.278±0.06 g/cm3(Predicted)

387.0±17.0 °C(Predicted)

187.9±20.9 °C

1.593

2-Chloro-5-(phenylmethoxy)-pyrimidine Use and Manufacturing

Step 1 In a microwave vial, cis-7-mcthyl-8-((3, 4, 5-trifluorophcnyl)carbamoyl)-2, 3, 3a, 4, 10, 10a-hexahydro-lH, 7H-dipyrrolo[3, 4-b:3', 4'-f][l, 4, 5]oxathiazocin-2-ium 5, 5-dioxide iodide (E11) (20 mg, 0.036 mmol) and To To a mixed solution of To a 50 mL single-mouth bottle was added Phenylboronic acid (1.21 g, 9.92 mmol), [1, 1'-bis(diphenylphosphino)ferrocene]palladium dichloride (612 mg, 0.820 mmol) was dissolved in toluene (60 mL) and ethanol (30 mL) Mixed solvent, Add a solution of sodium carbonate (2.78 g, 26.2 mmol) in water (12 mL) under nitrogen for 10 min.Further, To a 100 mL two-necked vial, Add 5-Benzyloxy-2-chloropyrimidine 34b (0.10 g, 0.45 mmol), 4-pyridineboronic acid (0.067 g, 0.54 mmol) dissolved in acetonitrile / water (v / v = 2 / 1) mixture (3 mL) ), Bis-triphenylphosphine palladium dichloride (0.016 g, 0.022 mmol) and sodium carbonate (0.096 g, 0.91 mmol) were added, and after three times of nitrogen substitution, the reaction was stirred at 150 C for 3.5 hours. The reaction was quenched by the addition of water (10 mL).Ethyl acetate (20 mL x 2) was added and the combined organic phases washed with saturated sodium chloride (30 mL).Drying over anhydrous sodium sulfate, obtained 38b (0.070 g, 59% yield) as a white solid.p-Methylphenylboronic acid (100 mg, 0.736 mmol) and [1, 1'-bis(diphenylphosphino)ferrocene]palladium dichloride (53 mg, 0.072 mmol) were dissolved in toluene (12 mL) and ethanol ( 6.0mL) of mixed solvent, Under a nitrogen atmosphere, sodium carbonate (0.251 mg, 0.00236 mmol) in water (1.2 mL) was added, and stirred for 10 min, Add potassium fluoride (0.48 g, 8.2 mmol) to a solution of

Computed Properties

Molecular Weight:220.65
XLogP3:2.6
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:220.0403406
Monoisotopic Mass:220.0403406
Topological Polar Surface Area:35
Heavy Atom Count:15
Complexity:177
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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