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Sulfuric Acid → 8-chloro-3-(3-methoxycarbonylbenzyl)quinazoline-2,4(1H,3H)-dione

HRID 927304
ノート
印刷プレビュー

反応式

HRID 927304 の反応式
[Cl:1][C:2]1[CH:3]=[CH:4][CH:5]=[C:6]2[C:11]=1[NH:10][C:9](=[O:12])[NH:8][C:7]2=[O:13].C[Si](C)(C)N[Si](C)(C)C.S(=O)(=O)(O)O.Br[CH2:29][C:30]1[CH:31]=[C:32]([CH:37]=[CH:38][CH:39]=1)[C:33]([O:35][CH3:36])=[O:34]>C1(C)C=CC=CC=1.O1CCOCC1.CO.CN(C=O)C>[Cl:1][C:2]1[CH:3]=[CH:4][CH:5]=[C:6]2[C:11]=1[NH:10][C:9](=[O:12])[N:8]([CH2:29][C:30]1[CH:39]=[CH:38][CH:37]=[C:32]([C:33]([O:35][CH3:36])=[O:34])[CH:31]=1)[C:7]2=[O:13]
参加物反応条件実験手順後処理出典と根拠反応ノート

参加物

9

反応物 4

HCID 1118Sulfuric AcidHCID 13838Hexamethyldisilazane2 回HCID 517981Methyl 3-(bromomethyl)benzoateHCID 196042968-Chloroquinazoline-2,4(1H,3H)-dione

生成物 1

HCID 683891148-chloro-3-(3-methoxycarbonylbenzyl)quinazoline-2,4(1H,3H)-dione収率 29.1%

試薬・触媒・溶媒 4

HCID 887
Methanol
溶媒
HCID 1140Toluene溶媒
HCID 6228Dimethylformamide溶媒
HCID 312751,4-Dioxane溶媒

反応条件

温度
160 °C

実験手順

To a suspension of 8-chloroquinazoline-2,4(1H,3H)-dione (5.1 g, 25.9 mmol) in toluene (50 mL) and hexamethyldisilazane (HMDS, 10.4 g, 64.9 mmol) was added sulfuric acid (0.25 g, 2.6 mmol). The mixture was heated to reflux and refluxed for 8 h until a clear solution was obtained. The solvent and excessive HMDS was removed via vacuum evaporation, and methyl 3-(bromomethyl)benzoate (5.9 g, 25.9 mmol) and DMF (1 mL) was added to the residue. The reaction mixture was heated to 160° C. and was stirred at this temperature for 3 h. It was diluted with 1,4-dioxane (6 mL) at 100° C., and then methanol (10 mL) was added at 70° C. and it was stirred for 30 min. The mixture was cooled to 5° C. and the precipitates were collected. The solids was washed with methanol (10 mL) and water (20 mL), dried under vacuum for 12 h to give the title compound 8-chloro-3-(3-methoxycarbonylbenzyl)quinazoline-2,4(1H,3H)-dione (2.6 g, 29.1% yield) as gray solid. MS: m/z 477.1 [M+H]+. The filtrate was concentrated, and the residue was purified by preparative TLC (PE:EA=1:1) to give the other title compound 8-chloro-1-(3-methoxycarbonylbenzyl)quinazoline-2,4(1H,3H)-dione (0.2 g, 1.8%) as yellow solid. MS: m/z 477.1 [M+H]+.

後処理

  1. temperatureThe mixture was heated
  2. temperatureto reflux
  3. temperaturerefluxed for 8 h until a clear solution
  4. customwas obtained
  5. additionwas added to the residue
  6. stirringit was stirred for 30 min
  7. temperatureThe mixture was cooled to 5° C.
  8. customthe precipitates were collected
  9. washThe solids was washed with methanol (10 mL) and water (20 mL)
  10. customdried under vacuum for 12 h

出典と根拠

ORDレコード
ord-b863474527394164932893d775e22de8
出典データセット
uspto-grants-2016_03
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US09290460B2

反応ノート

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