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Triacetoxyperiodinane → HCID 86722399、化合物

HRID 718800
ノート
印刷プレビュー

反応式

HRID 718800 の反応式
CC(OI1(OC(C)=O)(OC(C)=O)OC(=O)C2C=CC=CC1=2)=O.[CH2:23]([C@@:25]12[CH2:50][CH2:49][C@@:48]([C:52]([F:55])([F:54])[F:53])([OH:51])[CH2:47][C@H:26]1[CH2:27][CH2:28][C@H:29]([OH:46])[C:30]1[C:31]2=[CH:32][C:33]2[CH:34]=[N:35][N:36]([C:39]3[CH:44]=[CH:43][C:42]([F:45])=[CH:41][CH:40]=3)[C:37]=2[CH:38]=1)[CH3:24].C([C@@]12CC[C@@](C(F)(F)F)(O)C[C@H]1CC[C@@H](O)C1C2=CC2C=NN(C3C=CC(F)=CC=3)C=2C=1)C.C([O-])(O)=O.[Na+]>CC#N.O.C(Cl)Cl>[CH2:23]([C@@:25]12[CH2:50][CH2:49][C@:48]([OH:51])([C:52]([F:55])([F:53])[F:54])[CH2:47][C@H:26]1[CH2:27][CH2:28][C:29](=[O:46])[C:30]1[C:31]2=[CH:32][C:33]2[CH:34]=[N:35][N:36]([C:39]3[CH:40]=[CH:41][C:42]([F:45])=[CH:43][CH:44]=3)[C:37]=2[CH:38]=1)[CH3:24]
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 159087TriacetoxyperiodinaneHCID 516892Sodium BicarbonateHCID 86722398HCID 86722398、化合物HCID 86722400HCID 86722400、化合物

生成物 1

HCID 86722399HCID 86722399、化合物

試薬・触媒・溶媒 3

HCID 962Water溶媒2 回
HCID 6342Acetonitrile溶媒
HCID 6344Dichloromethane溶媒

実験手順

Dess-Martin periodinane (0.017 g, 0.039 mmol) was added to a solution of (3R,4aR,7 S,12bR)-12b-ethyl-9-(4-fluorophenyl)-3-(trifluoromethyl)-1,2,3,4,4a,5,6,7,9,12b-decahydrobenzo[6,7]cyclohepta[1,2-f]indazole-3,7-diol (61, R1=4-Fluorophenyl, R2=Ethyl, R3=Trifluoromethyl) (0.0079 g, 0.017 mmol), (3R,4aR,7R,12bR)-12b-ethyl-9-(4-fluorophenyl)-3-(trifluoromethyl)-1,2,3,4,4a,5,6,7,9,12b-decahydrobenzo[6,7]cyclohepta[1,2-f]indazole-3,7-diol (62, R1=4-Fluorophenyl, R2=Ethyl, R3=Trifluoromethyl) (0.0061 g, 0.013 mmol), and DCM (0.300 mL) under a nitrogen atmosphere. After about 90 min, sat. aq. NaHCO3 (2 mL) and water (1 mL) were added. The mixture was extracted with EtOAc (2×5 mL). The combined organics were dried over Na2SO4, filtered, and concentrated. The residue was purified on silica gel (4 g) using a gradient of 0-25% EtOAc in heptane. The fractions containing product were combined and concentrated under reduced pressure to afford an ivory foam. The residue was dissolved in MeCN, treated with water, and concentrated under reduced pressure to remove MeCN. The mixture was frozen then lyophilized to afford (3R,4aR,12bR)-12b-ethyl-9-(4-fluorophenyl)-3-hydroxy-3-(trifluoromethyl)-1,2,3,4,4a,5,6,12b-octahydrobenzo[6,7]cyclohepta[1,2-f]indazol-7(9H)-one (63, R1=4-Fluorophenyl, R2=Ethyl, R3=Trifluoromethyl) (0.0124 g, 89% yield) of an ivory solid. LC/MS, method 2, Rt=2.54 min, MS m/z 461 (M+H)+. 1H NMR (400 MHz, DMSO) δ 8.41-8.38 (m, 1H), 7.93 (s, 1H), 7.84-7.75 (m, 2H), 7.54 (s, 1H), 7.48-7.39 (m, 2H), 5.94 (s, 1H), 2.86-2.74 (m, 1H), 2.70-2.59 (m, 1H), 2.26-2.14 (m, 1H), 2.09-1.84 (m, 5H), 1.81-1.59 (m, 4H), 1.54-1.40 (m, 1H), 0.37 (t, J=7.2 Hz, 3H).

後処理

  1. extractionThe mixture was extracted with EtOAc (2×5 mL)
  2. dry with materialThe combined organics were dried over Na2SO4
  3. filtrationfiltered
  4. concentrationconcentrated
  5. customThe residue was purified on silica gel (4 g)
  6. additionThe fractions containing product
  7. concentrationconcentrated under reduced pressure
  8. customto afford an ivory foam
  9. concentrationconcentrated under reduced pressure
  10. customto remove MeCN
  11. temperatureThe mixture was frozen

出典と根拠

ORDレコード
ord-11b7a3e6743b49929b0ffa4b46df04b3
出典データセット
uspto-grants-2015_11
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US09193744B2

反応ノート

読み込み中…

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