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Methanesulfonic Acid → 11H-Pyrido(2,3-b)(1,4)benzodiazepine-11-carboxamide, N-(2-(2-((dipropylamino)methyl)-1-piperidinyl)ethyl)-5,6-dihydro-6-oxo-, methanesulfonate (1:1)

HRID 2351398
ノート
印刷プレビュー

反応式

HRID 2351398 の反応式
[CH2:1]([N:4]([CH2:8][CH:9]1[CH2:14][CH2:13][CH2:12][CH2:11][N:10]1[CH2:15][CH2:16][NH:17][C:18]([N:20]1[C:26]2[CH:27]=[CH:28][CH:29]=[CH:30][C:25]=2[C:24](=[O:31])[NH:23][C:22]2[CH:32]=[CH:33][CH:34]=[N:35][C:21]1=2)=[O:19])[CH2:5][CH2:6][CH3:7])[CH2:2][CH3:3].[CH3:36][S:37]([OH:40])(=[O:39])=[O:38]>C(#N)C.C(OCC)(=O)C>[CH3:36][S:37]([OH:40])(=[O:39])=[O:38].[CH2:1]([N:4]([CH2:8][CH:9]1[CH2:14][CH2:13][CH2:12][CH2:11][N:10]1[CH2:15][CH2:16][NH:17][C:18]([N:20]1[C:26]2[CH:27]=[CH:28][CH:29]=[CH:30][C:25]=2[C:24](=[O:31])[NH:23][C:22]2[CH:32]=[CH:33][CH:34]=[N:35][C:21]1=2)=[O:19])[CH2:5][CH2:6][CH3:7])[CH2:2][CH3:3]
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

5

反応物 2

HCID 6395Methanesulfonic AcidHCID 119357AF-DX-384

生成物 1

HCID 11935611H-Pyrido(2,3-b)(1,4)benzodiazepine-11-carboxamide, N-(2-(2-((dipropylamino)methyl)-1-piperidinyl)ethyl)-5,6-dihydro-6-oxo-, methanesulfonate (1:1)

試薬・触媒・溶媒 2

HCID 6342Acetonitrile溶媒2 回HCID 8857Ethyl Acetate溶媒

反応条件

温度
70 °C

実験手順

To a suspension of 56.2 g (0.1174 mol) of 5,11-dihydro-11-[[[2-[2-[(dipropylamino)methyl]-piperidin-1-yl]ethyl]amino]carbonyl]-6H-pyrido[2,3-b][1,4]benzodiazepin-6-one in a mixture of 100 ml of acetonitrile and 100 ml of ethyl acetate, a solution of 11.3 g (0.1176 mol) of methanesulphonic acid in 74 ml of acetonitrile was added dropwise whilst cooling with ice and stirring. After removal of the ice bath the mixture was heated to 70° C., 574 ml of acetic acid were added dropwise to the now clear solution, the mixture was inoculated with a crystal of the desired salt, left to cool to 40° C. and stirred for 2 hours at this temperature, then heated up to 50° C., 280 ml of ethyl acetate were again slowly added dropwise and after removal of the heating bath the mixture was stirred for 2 hours at ambient temperature, left to stand for 14 hours and finally the crystals formed were suction filtered. After washing with ethyl acetate and drying in a circulating air dryer, 64.0 g (95% of theory) of colourless crystals were obtained, m.p. 165°-167° C.

後処理

  1. temperaturewhilst cooling with ice
  2. customAfter removal of the ice bath the mixture
  3. addition574 ml of acetic acid were added dropwise to the now clear solution
  4. waitleft
  5. temperatureto cool to 40° C.
  6. stirringstirred for 2 hours at this temperature
  7. temperatureheated up to 50° C.
  8. addition280 ml of ethyl acetate were again slowly added dropwise
  9. customafter removal of the heating bath the mixture
  10. stirringwas stirred for 2 hours at ambient temperature
  11. waitleft
  12. customfinally the crystals formed
  13. washAfter washing with ethyl acetate
  14. customdrying in a circulating air dryer, 64.0 g (95% of theory) of colourless crystals
  15. customwere obtained

出典と根拠

ORDレコード
ord-737295c51b6b4d4ea9fb9ba3f09e39ad
出典データセット
uspto-grants-1989_10
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US04873236

反応ノート

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