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Phosphorus oxychloride → 4-Chloro-8-iodoquinazoline

HRID 1403103
Notizen
Druckvorschau

Reaktionsgleichung

Reaktionsgleichung von HRID 1403103
[I:1][C:2]1[CH:3]=[CH:4][CH:5]=[C:6]2[C:11]=1[NH:10][CH:9]=[N:8][C:7]2=O.P(Cl)(Cl)([Cl:15])=O>>[Cl:15][C:7]1[C:6]2[C:11](=[C:2]([I:1])[CH:3]=[CH:4][CH:5]=2)[N:10]=[CH:9][N:8]=1
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Komponenten

3

Edukt 2

HCID 24813Phosphorus oxychlorideHCID 178518223HCID 178518223, Verbindung

Produkt 1

HCID 143975314-Chloro-8-iodoquinazoline

Versuchsvorschrift

Tosylic acid dihydrate (0.038 g) was added to a suspension of 2-amino-3-iodobenzamide (0.513 g) supplemented with methyl orthoformate (5 ml) and NMP (1 ml), and the mixture was heated to reflux for 3 hours. After cooling, water was added to the reaction solution, and the deposit was filtrated and dried under reduced pressure to obtain 8-iodoquinazolin-4(1H)-one (0.481 g). Phosphorus oxychloride (10 ml) was added to the obtained 8-iodoquinazolin-4(1H)-one (1.17 g), and the mixture was heated to reflux for 8 hours. The solvent was distilled off under reduced pressure, and chloroform was added to the residue. The reaction solution was neutralized with an aqueous sodium hydroxide solution with cooling in an ice bath and partitioned into organic and aqueous layers. The organic layer was washed with brine. The organic layer thus washed was dried over anhydrous sodium sulfate. Then, the solvent was distilled off, and the residue was purified by neutral silica gel column chromatography (chloroform/ethyl acetate) to obtain 4-chloro-8-iodoquinazoline (0.946 g). 4-(4-Chloroquinazolin-8-yl)-2-(4-hydroxycyclohexylamino)benzonitrile was obtained according to Example 2(1) using the obtained 4-chloro-8-iodoquinazoline instead of compound (1b) and PdCl2dppf instead of Pd(PPh3)4. A compound of Comparative Example 2 was obtained as a pale yellow solid (yield based on 5 steps: 10%) according to Example 79 using the obtained 4-(4-chloroquinazolin-8-yl)-2-(4-hydroxycyclohexylamino)benzonitrile instead of compound (4b) and 3-quinolineboronic acid instead of 3-(tert-butylamino)-4-cyanophenylboronic acid pinacol ester.

Aufarbeitung

  1. temperaturethe mixture was heated
  2. temperatureto reflux for 8 hours
  3. distillationThe solvent was distilled off under reduced pressure, and chloroform
  4. additionwas added to the residue
  5. temperaturewith cooling in an ice bath
  6. custompartitioned into organic and aqueous layers
  7. washThe organic layer was washed with brine
  8. washThe organic layer thus washed
  9. dry with materialwas dried over anhydrous sodium sulfate
  10. distillationThen, the solvent was distilled off
  11. customthe residue was purified by neutral silica gel column chromatography (chloroform/ethyl acetate)

Quellen und Nachweise

ORD-Eintrag
ord-718cdfd8b2ae467f9826897befdf23a3
Quelldatensatz
uspto-grants-2014_12
DOI
10.6084/m9.figshare.5104873.v1
Patentnummer
US08912181B2

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