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Home > Encyclopedia > 2-(Pyrimidin-5-yl)benzaldehyde

2-(Pyrimidin-5-yl)benzaldehyde

2-(Pyrimidin-5-yl)benzaldehyde structure

2-(Pyrimidin-5-yl)benzaldehyde 

structure
  • CAS No:

    640769-71-7

  • Formula:

    C11H8N2O

  • Chemical Name:

    2-(Pyrimidin-5-yl)benzaldehyde

  • Synonyms:

    2-(pyrimidin-5-yl)benzaldehyde;2-(5-Pyrimidinyl)benzaldehyde;2-Pyrimidin-5-yl-benzaldehyde;2-Pyrimidin-5-ylbenzaldehyde;Benzaldehyde, 2-(5-pyrimidinyl)-;Benzaldehyde,2-(5-pyrimidinyl)-;PubChem4083;SCHEMBL612568;CHEMBL4460321;CTK5C0653

  • Categories:

    Pharmaceutical Intermediates  >  Heterocyclic Compound

2-(Pyrimidin-5-yl)benzaldehyde Basic Attributes

184.19

184.063660

DTXSID20396710

Characteristics

42.8

1.3

1.2±0.1 g/cm3

204-207 °C(lit.)

375.8°C at 760 mmHg

184.5±32.4 °C

1.621

Safety Information

36/37/38-41-37/38-22

26-36/37/39-39

Xi,Xn

Irritant

2-(Pyrimidin-5-yl)benzaldehyde Use and Manufacturing

The microwave vials (20 ml) were charged with 2-formylphenylboronic acid (290 mg, 2.0 mmol), 5-bromo-pyrimidine (316 mg, 2.0 mmol) and 8 ml of acetonitrile. To the mixture was added 4 ml of an aqueous solution of sodium carbonate (1 M), followed by the addition of 100 mg of dichlorobis (triphenylYlphosphine) -palladium (II). The reaction vessel was sealed and heated at 150 & lt; 0 & gt; C for 5 minutes with microwave irradiation. After cooling the reaction mixtureExtracted with ethyl acetate. The organic layer was evaporated to provide a crude material which was purified by ISCO to give 220 mg of 2-pyrimidin-5-yl-benzaldehyde.

Computed Properties

Molecular Weight:184.19
XLogP3:1.3
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:184.063662883
Monoisotopic Mass:184.063662883
Topological Polar Surface Area:42.8
Heavy Atom Count:14
Complexity:190
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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