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Spermine → spermine tetra TFA salt

HRID 2117243
ノート
印刷プレビュー

反応式

HRID 2117243 の反応式
C[C@H]1[C@](O)(C(CO)=O)[C@]2(C)[C@H]([C@H]3[C@](F)([C@@H](O)C2)[C@]2(C)C(=CC(C=C2)=O)CC3)C1.S([O-])(=O)(=O)C.[NH2:34][CH2:35][CH2:36][CH2:37][NH:38][CH2:39][CH2:40][CH2:41][CH2:42][NH:43][CH2:44][CH2:45][CH2:46][NH2:47].N=C1CCCS1.[F:54][C:55]([F:60])([F:59])[C:56]([OH:58])=[O:57]>O.C1COCC1.C(O)C>[OH:58][C:56]([C:55]([F:60])([F:59])[F:54])=[O:57].[OH:58][C:56]([C:55]([F:60])([F:59])[F:54])=[O:57].[OH:58][C:56]([C:55]([F:60])([F:59])[F:54])=[O:57].[OH:58][C:56]([C:55]([F:60])([F:59])[F:54])=[O:57].[NH2:47][CH2:46][CH2:45][CH2:44][NH:43][CH2:42][CH2:41][CH2:40][CH2:39][NH:38][CH2:37][CH2:36][CH2:35][NH2:34]
参加物実験手順後処理出典と根拠反応ノート

参加物

8

反応物 4

HCID 1103SpermineHCID 6422Trifluoroacetic acidHCID 4339412-IminothiolaneHCID 131727135Dexamethasone mesylate2 回

生成物 1

HCID 131727136spermine tetra TFA salt

試薬・触媒・溶媒 3

HCID 702Ethanol溶媒
HCID 962
Water
溶媒
HCID 8028Tetrahydrofuran溶媒

実験手順

A 1-L round-bottom flask equipped with a magnetic stir bar and rubber septum was purged with nitrogen and charged with 600 ml of USP-grade dry ethanol, 60 ml of anhydrous THF, 4.95 grams (10.5 mmol, 1.05 equivalents) of dexamethasone-mesylate and 10 grams (19.5 mmol, 4.95 equivalents) of spermine. 2-Iminothiolane, 1.38 grams (10 mmol, 1.0 equivalents) in 3 ml of water, was added dropwise to the solution over 5 minutes with vigorous mixing. The solution changed color from clear to clear light yellow. The reaction was monitored by TLC and by analytical HPLC. After three hours at room temperature, the TLC spot at Rt=0 (the charged DS) (Rt=0.7 min DS by analytical HPLC) was maximized, and dexamethasone-mesylate (Rt 0.47, 2.8 min HPLC) spot minimized. The crude reaction mixture was diluted with 15.25 ml (198 mmol, 19.8 equivalents) of trifluoroacetic acid, forming a white precipitate (spermine tetra TFA salt). Solvent was removed with a rotary evaporator and 50 ml of ethanol was added, forming a white precipitate (spermine-4TFA). The pH 3 solution was filtered twice to remove spermine tetratrifluoroacetic acid salt, and ethanol was removed with a rotary evaporator. 50 ml of water was added to the yellow viscous oil, yielding a precipitate (dexamethasone and dexamethasone mesylate), and the solution was filtered through 0.2 μm filter to yield a clear yellow liquid. Water was removed with a lyophilizer over several days to yield dexamethasone-spermine tetratrifluoroacetic acid salt. Yield: 8.228 grams (7.17 mmol, 72%).

後処理

  1. customA 1-L round-bottom flask equipped with a magnetic stir bar
  2. customrubber septum was purged with nitrogen
  3. customThe crude reaction mixture

出典と根拠

ORDレコード
ord-a33b011f2d3347abb8223c02142a96f2
出典データセット
uspto-grants-2008_10
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US07442386B2

反応ノート

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