ホームMCPワークベンチSkills
ホームワークベンチ通知マイページ
llms.txt · MCPガイドプライバシーポリシー · 利用規約 · サポートv1.8.0
  1. ホーム
  2. /反応

Tetrahydrofuran → O-((1S,2S,3S,5R)-6-Methoxy-2-methyl-2-(4-methyl-4-((triethylsilyl)oxy)pentyl)-5-(3-methylbut-2-en-1-yl)-8,9-dioxobicyclo[3.3.1]non-6-en-3-yl) O-phenyl carbonothioate

HRID 633661
ノート
印刷プレビュー

反応式

HRID 633661 の反応式
C1COCC1.[OH:6][C@@H:7]1[C@@:14]([CH3:29])([CH2:15][CH2:16][CH2:17][C:18]([CH3:28])([O:20][Si:21]([CH2:26][CH3:27])([CH2:24][CH3:25])[CH2:22][CH3:23])[CH3:19])[C@@H:13]2[C@:30]([OH:33])(OC)[C@@:9]([CH2:37][CH:38]=[C:39]([CH3:41])[CH3:40])([C:10]([O:35][CH3:36])=[CH:11][C:12]2=[O:34])[CH2:8]1.C([Li])CCC.[CH:47]1[CH:52]=[CH:51][C:50]([O:53][C:54](Cl)=[S:55])=[CH:49][CH:48]=1>CCOC(C)=O.CCCCCC>[C:54](=[S:55])([O:53][C:50]1[CH:51]=[CH:52][CH:47]=[CH:48][CH:49]=1)[O:6][C@H:7]1[CH2:8][C@@:9]2([CH2:37][CH:38]=[C:39]([CH3:41])[CH3:40])[C:30](=[O:33])[C@H:13]([C:12](=[O:34])[CH:11]=[C:10]2[O:35][CH3:36])[C@:14]1([CH3:29])[CH2:15][CH2:16][CH2:17][C:18]([CH3:19])([O:20][Si:21]([CH2:24][CH3:25])([CH2:22][CH3:23])[CH2:26][CH3:27])[CH3:28]
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

7

反応物 4

HCID 8028TetrahydrofuranHCID 70498Phenyl thioxochloroformateHCID 71520048(1S,5R,7S,8S,9S)-7,9-Dihydroxy-4,9-dimethoxy-8-methyl-8-(4-methyl-4-((triethylsilyl)oxy)pentyl)-5-(3-methylbut-2-en-1-yl)bicyclo[3.3.1]non-3-en-2-oneHCID 178418339Butyllithium

生成物 1

HCID 90123985
O-((1S,2S,3S,5R)-6-Methoxy-2-methyl-2-(4-methyl-4-((triethylsilyl)oxy)pentyl)-5-(3-methylbut-2-en-1-yl)-8,9-dioxobicyclo[3.3.1]non-6-en-3-yl) O-phenyl carbonothioate
収率 60%

試薬・触媒・溶媒 2

HCID 8058Hexane溶媒2 回HCID 8857Ethyl Acetate溶媒

反応条件

温度
-78 °C

実験手順

A THF (2 mL) solution of 39 (71 mg, 0.14 mmol, 1 equiv.) was cooled to −78° C. in a 10-mL recovery flask, and a hexane solution of n-butyllithium (2.02 M, 141 μL, 0.28 mmol, 2.1 equiv.) was added dropwise over 5 min. After stirring the solution at −78° C. for 20 min, O-phenyl chlorothionoformate (39 μL, 0.28 mmol, 2.1 equiv.) was added in one portion. The resulting yellow solution was allowed to slowly warm to room temperature over 90 min and was subsequently quenched at room temperature with saturated aqueous NaHCO3. The mixture was extracted thrice with EtOAc. The organic extracts were combined, washed with H2O and brine, dried over Na2SO4, filtered, and concentrated in vacuo to an orange oil. Flash column chromatography (50 mL SiO2, 95:5 hexane:EtOAc) afforded 51 mg (81 μmol, 60% yield) of 40 as a colorless oil. TLC Rf 0.58 (7:3 hexane:EtOAc). 1H NMR (600 MHz; CDCl3): δ 7.41 (dd, J=8.4, 7.6 Hz, 2H), 7.30 (t, J=7.4 Hz, 1H), 7.08-7.06 (m, 2H), 5.74 (s, 1H), 5.53 (dd, J=11.5, 5.4 Hz, 1H), 4.99 (t, J=7.0 Hz, 1H), 3.80 (s, 3H), 3.25 (s, 1H), 2.56-2.53 (m, 2H), 2.44 (dd, J=14.6, 7.4 Hz, 1H), 1.86 (dd, J=12.9, 11.7 Hz, 1H), 1.69-1.65 (m, 7H), 1.58-1.56 (m, 1H), 1.47-1.41 (m, 2H), 1.37 (m, 2H), 1.23 (s, 3H), 1.23 (s, 3H), 1.03 (s, 3H), 0.95 (t, J=7.9 Hz, 9H), 0.58 (q, J=7.8 Hz, 6H). 13C NMR (126 MHz; CDCl3): δ 204.2, 194.6, 192.2, 177.0, 153.4, 134.9, 129.8, 126.9, 122.0, 118.6, 106.3, 84.6, 73.5, 69.8, 57.3, 55.7, 45.65, 45.58, 38.1, 34.3, 30.5, 29.7, 29.3, 26.1, 18.2, 17.8, 17.5, 7.4, 7.0. HRMS-ESI (m/z): [M+Na]+ calculated for C35H52O6SSi, 651.3152. found, 651.3130.

後処理

  1. temperatureto slowly warm to room temperature over 90 min
  2. customwas subsequently quenched at room temperature with saturated aqueous NaHCO3
  3. extractionThe mixture was extracted thrice with EtOAc
  4. washwashed with H2O and brine
  5. dry with materialdried over Na2SO4
  6. filtrationfiltered
  7. concentrationconcentrated in vacuo to an orange oil

出典と根拠

ORDレコード
ord-d2ebd72c8fed4da290cfd6096da18b11
出典データセット
uspto-grants-2016_04
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US09321713B2

反応ノート

読み込み中…

このページの内容参加物反応条件実験手順後処理出典と根拠反応ノート