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Home > Encyclopedia > 8-Chloro-4(3H)-quinazolinone

8-Chloro-4(3H)-quinazolinone

8-Chloro-4(3H)-quinazolinone structure

8-Chloro-4(3H)-quinazolinone 

structure
  • CAS No:

    101494-95-5

  • Formula:

    C8H5ClN2O

  • Chemical Name:

    8-Chloro-4(3H)-quinazolinone

  • Synonyms:

    4(3H)-Quinazolinone,8-chloro-;4(1H)-Quinazolinone,8-chloro-;8-Chloro-4(3H)-quinazolinone;8-Chloroquinazolin-4(3H)-one

8-Chloro-4(3H)-quinazolinone Basic Attributes

180.591

180.59

DTXSID30445662

Characteristics

41.5

1.3

1.50±0.1 g/cm3 (20 ºC 760 Torr)

299-300 °C

327.4±44.0°C at 760 mmHg

171.5±22.3 °C

1.710

8-Chloro-4(3H)-quinazolinone Use and Manufacturing

General procedure: To a three necked flask, substituted anthranilic acid (1 meq.) was added in excess of formamide (6 meq). The reaction mixture was then heated at 140 °C for 4-6 h. The reaction was monitored with thin layer chromatography and upon completion; ice was added to the reaction mixture. The resultant solid was filtered, washed with water, dissolved in ethyl acetate, dried over MgSO2-Amino-3-chlorobenzamide (85 mg, 0.5 mmol), [Cp * Ir (2, 2'-bpyO)(5.4 mg, 0.005 mmol, 1 molpercent), Cesium carbonate (49 mg, 0.15 mmol, 0.3 equiv.) And methanol (0.5 ml) were sequentially added to a dried 5 mL microwave reaction tube.The tube was nitrogen protected and placed in a single mode pressure microwave synthesizer (Discover CEM, USA). After the reaction mixture was reacted at 130 ° C for 2 hours, it was cooled to room temperature. Rotary evaporation to remove the solvent, Pure target compound was then obtained by column chromatography (developing solvent: petroleum ether / ethyl acetate), yield: 68percent

Computed Properties

Molecular Weight:180.59
XLogP3:1.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Exact Mass:180.0090405
Monoisotopic Mass:180.0090405
Topological Polar Surface Area:41.5
Heavy Atom Count:12
Complexity:229
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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