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Diethyl chlorophosphate → (2'R,9S)-7-(4-chlorophenyl)-2'-(methoxymethyl)-4,5,13-trimethylspiro[3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene-9,1'-cyclopropane]

HRID 1772334
ノート
印刷プレビュー

反応式

HRID 1772334 の反応式
[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([C:8]2[C:9]3[C:23]([CH3:24])=[C:22]([CH3:25])[S:21][C:10]=3[NH:11][C:12](=O)[C@@:13]3([CH2:16][C@H:15]3[CH2:17][O:18][CH3:19])[N:14]=2)=[CH:4][CH:3]=1.CC(C)([O-])C.[K+].P(Cl)(=O)(OCC)OCC.[C:41]([NH:44][NH2:45])(=O)[CH3:42]>C1COCC1.CO>[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([C:8]2[C:9]3[C:23]([CH3:24])=[C:22]([CH3:25])[S:21][C:10]=3[N:11]3[C:41]([CH3:42])=[N:44][N:45]=[C:12]3[C@@:13]3([CH2:16][C@H:15]3[CH2:17][O:18][CH3:19])[N:14]=2)=[CH:4][CH:3]=1
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 13139Diethyl chlorophosphateHCID 14039AcetohydrazideHCID 23665647Potassium tert-butoxideHCID 136338064(1S,2R)-5'-(4-chlorophenyl)-2-(methoxymethyl)-6',7'-dimethylspiro[cyclopropane-1,3'-thieno[2,3-e][1,4]diazepin]-2'(1'H)-one

生成物 1

HCID 57345408(2'R,9S)-7-(4-chlorophenyl)-2'-(methoxymethyl)-4,5,13-trimethylspiro[3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene-9,1'-cyclopropane]
収率 86.9%

試薬・触媒・溶媒 2

HCID 887Methanol溶媒HCID 8028Tetrahydrofuran溶媒

実験手順

To a solution of (1S,2R)-5′-(4-chlorophenyl)-2-(methoxymethyl)-6′,7′-dimethylspiro-[cyclopropane-1,3′-thieno[2,3-e][1,4]diazepin]-2′(1′H)-one (3.7, 9.87 mmol) in anhydrous THF (200 mL) at −78° C. was slowly added a solution of potassium tert-butoxide (12.34 mL, 12.34 mmol). The resulting dark brown solution was warmed to rt and stirred for 30 min. The reaction was cooled to −78° C. before diethyl phosphorochloridate (2.85 mL, 19.74 mmol) was slowly added. Once the addition was completed, the reaction was warmed to rt for 60 to 90 min before acetohydrazide (2.193 mg, 29.6 mmol) was added. The reaction was then heated to 60° C. for 2 h before MeOH (5 mL) and silica gel were sequentially added. The solvent was removed under vacuum, the dry silica gel was packed, and the product was purified by flash chromatography (EtOAc/hexane 3:7 to 100:0) to give (1S,2R)-4′-(4-chlorophenyl)-2-(methoxymethyl)-2′,3′,9′-trimethylspiro[cyclopropane-1,6′-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine] as a solid (3.54 g). LRMS (M+H)+: 413 m/z. 1H NMR (two conformers detected in ˜1:1 ratio) (400 MHz, DMSO-d6) δ 7.42-7.55 (m, 4H), 3.82 (dd, J=7.32, 10.99 Hz, 0.5H), 3.71 (dd, J=6.41, 11.22 Hz, 0.5H), 3.39 (s, 1.5H), 3.21 (dd, J=6.29, 10.87 Hz, 0.5H), 3.04 (dd, J=7.67, 10.87 Hz, 0.5H), 2.97 (s, 1.5H), 2.60 (s, 3H), 2.39 (s, 1.5H), 2.38 (s, 1.5H), 2.16-2.27 (m, 0.5H), 2.05 (dd, J=5.26, 9.38 Hz, 0.5H), 1.58 (s, 1.5H), 1.54 (s, 1.5H), 1.43-1.51 (m, 0.5H), 1.33-1.40 (m, 0.5H), 1.03 (dd, J=5.38, 9.27 Hz, 0.5H), 0.61 (t, J=6.07 Hz, 0.5H).

後処理

  1. additionwas slowly added
  2. additionOnce the addition
  3. additionwas added
  4. additionwere sequentially added
  5. customThe solvent was removed under vacuum
  6. customthe product was purified by flash chromatography (EtOAc/hexane 3:7 to 100:0)

出典と根拠

ORDレコード
ord-19dad78eca384c42bd049d98824faded
出典データセット
uspto-grants-2016_02
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US09249161B2

反応ノート

読み込み中…

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