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[(2R)-2-(cyclopentylmethyl)-3-(2-{5-fluoro-6-[(9aS)-hexahydropyrazino[2,1-c][1,4]oxazin-8(1H)-yl]-2-methyl-4-pyrimidinyl}hydrazino)-3-oxopropyl][(phenylmethyl)oxy]formamide → Lanopepden

HRID 1366419
ノート
印刷プレビュー

反応式

HRID 1366419 の反応式
[CH:1]1([CH2:6][C@@H:7]([C:20]([NH:22][NH:23][C:24]2[C:29]([F:30])=[C:28]([N:31]3[CH2:40][CH2:39][N:38]4[C@H:33]([CH2:34][O:35][CH2:36][CH2:37]4)[CH2:32]3)[N:27]=[C:26]([CH3:41])[N:25]=2)=[O:21])[CH2:8][N:9]([O:12]CC2C=CC=CC=2)[CH:10]=[O:11])[CH2:5][CH2:4][CH2:3][CH2:2]1>CO.[Pd]>[CH:1]1([CH2:6][C@@H:7]([C:20]([NH:22][NH:23][C:24]2[C:29]([F:30])=[C:28]([N:31]3[CH2:40][CH2:39][N:38]4[C@H:33]([CH2:34][O:35][CH2:36][CH2:37]4)[CH2:32]3)[N:27]=[C:26]([CH3:41])[N:25]=2)=[O:21])[CH2:8][N:9]([OH:12])[CH:10]=[O:11])[CH2:5][CH2:4][CH2:3][CH2:2]1
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

4

反応物 1

HCID 86636930[(2R)-2-(cyclopentylmethyl)-3-(2-{5-fluoro-6-[(9aS)-hexahydropyrazino[2,1-c][1,4]oxazin-8(1H)-yl]-2-methyl-4-pyrimidinyl}hydrazino)-3-oxopropyl][(phenylmethyl)oxy]formamide

生成物 1

HCID 52918384Lanopepden収率 84.5%

試薬・触媒・溶媒 2

HCID 23938Palladium触媒HCID 887Methanol溶媒

反応条件

温度
50 °C

実験手順

To a solution of crude [(2R)-2-(cyclopentylmethyl)-3-(2-{5-fluoro-6-[(9aS)-hexahydropyrazino[2,1-c][1,4]oxazin-8(1H)-yl]-2-methyl-4-pyrimidinyl}hydrazino)-3-oxopropyl][(phenylmethyl)oxy]formamide (assumed 39.73 g, 69.74 mmol) in MeOH (350 mL) was added 10% Pd/C (50% water, 7.9 g). The suspension was hydrogenated under balloon pressure for 3 h, and was then filtered through two glass fiber filters with MeOH washings. The resulting solution was concentrated in vacuo to a volume of approximately 70 mL, and was then diluted with EtOAc (500 mL). The solution was concentrated in vacuo to remove approximately 100 mL of solvent. The resulting solid was collected by vacuum filtration, and washed well with EtOAc followed by hexanes. The mother liquor was concentrated in vacuo, and then diluted with EtOAc (200 mL). The mixture was concentrated in vacuo to approximately 50% volume, and the resulting solid was collected by vacuum filtration and washed well with EtOAc followed by hexanes. The two batches of solid were combined and placed under high vacuum overnight. To this material was then added approximately 466 mg of material prepared through a similar sequence, and the combined batch was heated at 50° C. under high vacuum overnight to afford [(2R)-2-(cyclopentylmethyl)-3-(2-{5-fluoro-6-[(9aS)-hexahydropyrazino[2,1-c][1,4]oxazin-8(1H)-yl]-2-methyl-4-pyrimidinyl}hydrazino)-3-oxopropyl]hydroxyformamide (28.27 g, 83% yield for 2 steps). LC/MS: (M+H)+: 480.3. The resulting solid was analytically characterized and found to be polymorphic form, Form 1.

後処理

  1. filtrationwas then filtered through two glass fiber filters with MeOH washings
  2. concentrationThe resulting solution was concentrated in vacuo to a volume of approximately 70 mL
  3. additionwas then diluted with EtOAc (500 mL)
  4. concentrationThe solution was concentrated in vacuo
  5. customto remove approximately 100 mL of solvent
  6. filtrationThe resulting solid was collected by vacuum filtration
  7. washwashed well with EtOAc
  8. concentrationThe mother liquor was concentrated in vacuo
  9. additiondiluted with EtOAc (200 mL)
  10. concentrationThe mixture was concentrated in vacuo to approximately 50% volume
  11. filtrationthe resulting solid was collected by vacuum filtration
  12. washwashed well with EtOAc
  13. customplaced under high vacuum overnight
  14. additionTo this material was then added approximately 466 mg of material
  15. customprepared through a similar sequence

出典と根拠

ORDレコード
ord-3f3bb7d4039d47d6bad224064584f10f
出典データセット
uspto-grants-2011_02
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US07893056B2

反応ノート

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