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Water → HCID 15463288、化合物

HRID 1108473
ノート
印刷プレビュー

反応式

HRID 1108473 の反応式
C=[CH:2][C@@H:3]1[C@:20]2([CH3:21])[C@H:6]([C@H:7]3[C@H:17]([CH2:18][CH2:19]2)[C@:15]2([CH3:16])[C:10](=[CH:11][C:12](=[O:22])[CH2:13][CH2:14]2)[C:9](=O)[CH2:8]3)[CH2:5][CH2:4]1.ClC1C(=O)C(C#N)=C(C#N)C(=O)C=1Cl.[Na].O>O1CCOCC1.C(OC)(C)(C)C>[CH2:2]=[C:3]1[CH2:4][CH2:5][C@H:6]2[C@H:7]3[C@H:17]([CH2:18][CH2:19][C@:20]12[CH3:21])[C@:15]1([CH3:16])[C:10](=[CH:11][C:12](=[O:22])[CH:13]=[CH:14]1)[CH2:9][CH2:8]3
参加物実験手順後処理出典と根拠反応ノート

参加物

7

反応物 4

HCID 962WaterHCID 67752,3-Dichloro-5,6-dicyano-1,4-benzoquinoneHCID 5360545SodiumHCID 15429665Pregna-4,20-diene-3,6-dione

生成物 1

HCID 15463288HCID 15463288、化合物収率 50.3%

試薬・触媒・溶媒 2

HCID 15413tert-Butyl methyl ether
溶媒
HCID 312751,4-Dioxane溶媒

実験手順

Refer to FIG. 190. A solution of 17-methylenandrost-4-en-3-one (9, 1.0001 g, 3.5160 mmol) and 2,3-dichloro-5,6-dicyano-1,4-benzoquinone (DDQ, 2.43 g, 10.7 mmol) in dioxane (60 ml, freshly distilled after overnight reflux over sodium) was refluxed 6 h and then cooled with swirling in tap water. Methyl t-butyl ether (MTBE, 50 ml) was added and the suspension was filtered through diatomaceous earth. The residue was washed with two 50 ml portions of MTBE and the combined filtrates were concentrated under reduced pressure. Flash chromatography of the residue (20% ethyl acetate/hexanes on silica gel) followed by recrystallization from 95% ethanol gave off-white crystals (498.9 mg, 1.767 mmol, 50%), m.p. 155-157° C.

後処理

  1. temperaturewas refluxed 6 h
  2. temperaturecooled
  3. filtrationthe suspension was filtered through diatomaceous earth
  4. washThe residue was washed with two 50 ml portions of MTBE
  5. concentrationthe combined filtrates were concentrated under reduced pressure
  6. customFlash chromatography of the residue (20% ethyl acetate/hexanes on silica gel) followed by recrystallization from 95% ethanol

出典と根拠

ORDレコード
ord-543cd72c1e2b441e88cb73d2fb658da3
出典データセット
uspto-grants-2000_05
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US06066627

反応ノート

読み込み中…

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