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Chemical Structure| 34953-87-2 Chemical Structure| 34953-87-2

Structure of 34953-87-2

Chemical Structure| 34953-87-2

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Product Details of [ 34953-87-2 ]

CAS No. :34953-87-2
Formula : C5H5ClN2O
M.W : 144.56
SMILES Code : OCC1=NC(Cl)=NC=C1
MDL No. :MFCD18449371
InChI Key :POXLTMBMLWQOQG-UHFFFAOYSA-N
Pubchem ID :45080377

Safety of [ 34953-87-2 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H315-H319-H335
Precautionary Statements:P261-P280-P301+P312-P302+P352-P305+P351+P338

Application In Synthesis of [ 34953-87-2 ]

* 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 [ 34953-87-2 ]

[ 34953-87-2 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 126617-98-9 ]
  • [ 34953-87-2 ]
  • (2-(2-(methoxymethyl)phenyl)pyrimidin-4-yl)methanol [ No CAS ]
YieldReaction ConditionsOperation in experiment
With tetrakis(triphenylphosphine) palladium(0); sodium hydrogencarbonate; In tetrahydrofuran; water; at 75℃;Inert atmosphere; Example 140A (2-(2-(methoxymethyl)phenyl)pyrimidin-4-yl)methanol A mixture of (2-chloropyrimidin-4-yl)methanol (0.50 g), <strong>[126617-98-9](2-(methoxymethyl)phenyl)boronic acid</strong> (0.746 g) and tetrakis(triphenylphosphine)palladium(0) (0.20 g) in tetrahydrofuran (22 mL) and saturated aqueous sodium bicarbonate solution (12 mL) was heated to 75 C. under an atmosphere of nitrogen overnight. The reaction was cooled, diluted with ethyl acetate (75 mL), and washed with water (50 mL) and brine (50 mL). The organic layer was dried over magnesium sulfate, filtered and concentrated. The residue was loaded onto silica gel (Teledyne Isco RediSep Rf gold 80 g) and was eluted using a gradient of 5-75% heptanes/ethyl acetate. The desired fractions were concentrated to give the title compound. 1H NMR (400 MHz, chloroform-d) delta ppm 8.79 (d, J=5.0 Hz, 1H), 7.98 (d, J=7.7 Hz, 1H), 7.62 (d, J=7.1 Hz, 1H), 7.49 (td, J=7.6, 7.5, 1.5 Hz, 1H), 7.43 (td, J=7.5, 7.4, 1.5 Hz, 1H), 7.20 (d, J=5.2 Hz, 1H), 4.83 (s, 2H), 4.82 (d, J=5.1 Hz, 2H), 3.70 (t, J=5.1, 5.1 Hz, 1H), 3.35 (s, 3H). MS (ESI) m/z 253.0 (M+Na)+.
 

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