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Home > Encyclopedia > 6-Amino-4(3H)-quinazolinone

6-Amino-4(3H)-quinazolinone

6-Amino-4(3H)-quinazolinone structure

6-Amino-4(3H)-quinazolinone 

structure
  • CAS No:

    17329-31-6

  • Formula:

    C8H7N3O

  • Chemical Name:

    6-Amino-4(3H)-quinazolinone

  • Synonyms:

    4(3H)-Quinazolinone,6-amino-;4(1H)-Quinazolinone,6-amino-;6-Amino-4(3H)-quinazolinone;6-Amino-4-quinazolinone;6-Amino-4-hydroxyquinazoline;6-Amino-3H-quinazolin-4-one;NSC 338202;6-Amino-4(1H)-quinazolinone;6-Aminoquinazolin-4-ol

  • Categories:

    Pharmaceutical Intermediates  >  Antineoplastics

6-Amino-4(3H)-quinazolinone Basic Attributes

161.16

161.16

338202

DTXSID40318959

Characteristics

67.5

0.1

1.49±0.1 g/cm3(Predicted)

303 °C @ Solvent: Water

421.1±47.0 °C(Predicted)

247.3±24.0 °C

1.734

2.67E-07mmHg at 25°C

Safety Information

IRRITANT

Xi

6-Amino-4(3H)-quinazolinone Use and Manufacturing

Intermediate 5 [00201] In a 1 L flask was added Intermediate 5A (1 g, 5.23 mmol) in MeOH(500ml) to give a yellow suspension. 10percent Pd/C (0.056 g, 0.523 mmol) was added. The mixture was stirred at r.t. under a hydrogen balloon for 4 hours. The reaction mixture was filtered and concentrated to a yellow solid 0.84 g (100percent). Intermediate 4; [00201] In a 1 L flask was added Intermediate 4A (1 g, 5.23 mmol) in MeOH(500 mL) to give a yellow suspension. 10percent Pd/C (0.056 g, 0.523 mmol) was added. The mixture was stirred at rt under a hydrogen balloon for 4 h. The reaction mixture was filtered and concentrated to a yellow solid 0.84 g (100percent). 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 MgSOA mixture of 1 g (5 mmol) of 6-nitroquinazolin-4-(3H)-one 11 and 6 g (25 mmol) of SnCl

Computed Properties

Molecular Weight:161.16
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Exact Mass:161.058911855
Monoisotopic Mass:161.058911855
Topological Polar Surface Area:67.5
Heavy Atom Count:12
Complexity:226
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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