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Dichloromethane → 6-chloro-(1S)-camphanoyl-4-phenylethynyl-4-trifluoromethyl-1,4-dihydro-2H-3,1-benzoxazin-2-one

HRID 1376435
ノート
印刷プレビュー

反応式

HRID 1376435 の反応式
Cl[C:2]1[CH:3]=[CH:4][C:5]2[NH:10][C:9](=[O:11])[O:8][C:7]([C:16]#[C:17][C:18]3[CH:23]=[CH:22][CH:21]=[CH:20][CH:19]=3)([C:12]([F:15])([F:14])[F:13])[C:6]=2[CH:24]=1.[C:25]12([CH3:37])[C:31]([CH3:33])([CH3:32])[CH:28]([CH2:29][CH2:30]1)[CH2:27][CH:26]2[C:34](Cl)=[O:35].C(N(CC)CC)C.[Cl:45]CCl>CN(C)C1C=CN=CC=1>[Cl:45][CH:30]1[C@:25]2([CH3:37])[C:31]([CH3:33])([CH3:32])[CH:28]([CH2:27][CH:26]2[C:34]([N:10]2[C:5]3[CH:4]=[CH:3][CH:2]=[CH:24][C:6]=3[C:7]([C:16]#[C:17][C:18]3[CH:19]=[CH:20][CH:21]=[CH:22][CH:23]=3)([C:12]([F:14])([F:15])[F:13])[O:8][C:9]2=[O:11])=[O:35])[CH2:29]1
参加物実験手順後処理出典と根拠反応ノート

参加物

6

反応物 4

HCID 6344DichloromethaneHCID 8471TriethylamineHCID 4771206-chloro-4-(2-phenylethynyl)-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-oneHCID 534427834,7,7-Trimethyl-3-bicyclo[2.2.1]heptanecarbonyl chloride

生成物 1

HCID 702711876-chloro-(1S)-camphanoyl-4-phenylethynyl-4-trifluoromethyl-1,4-dihydro-2H-3,1-benzoxazin-2-one

試薬・触媒・溶媒 1

HCID 142844-(Dimethylamino)pyridine触媒

実験手順

To a solution containing (±) 6-chloro-4-phenylethynyl-4-trifluoromethyl-1,4-dihydro-2H-3,1-benzoxazin-2-one (2.24 g, 6.37 mmol), 4-dimethylaminopyridine (0.10 g, 0.8 mmol), and (-) camphanic acid chloride (2.07 g, 9.55 mmol) in 60 mL of dry dichloromethane, stirred under argon in an ice bath, was added triethylamine (2.22 mL, 15.9 mmol). The cooling bath was removed and the reaction was allowed to proceed at room temperature. When the reaction was complete by thin layer chromatography (SiO2, 4% EtOAc in CHCl3), the solution was diluted with 200 mL of CHCl3 and washed twice with 10% citric acid, then with brine. Upon drying (MgSO4) the solvent was removed on a rotary evaporator and the foamy reside was subjected to flash chromatography, eluting with CHCl3. There was obtained 575 mg of diastereomer I of 6-chloro-(1S)-camphanoyl-4-phenylethynyl-4-trifluoromethyl-1,4-dihydro-2H-3,1-benzoxazin-2-one as an oil, 1H-NMR (CDCl3): δ0.85 (s, 3H), 1.08 (s, 3H), 1.22 (s, 3H), 1.73-1.85 (m, 1H), 1.92-2.08 (m, 1H), 2.50-2.67 (m, 2H), 7.30-7.79 (m, 8H). This was followed by 1.52 g of mixed fractions (diastereomers I and II). Continued elution afforded 680 mg of the slower-moving diastereomer (II) of the title compound which, upon trituration with an ether/hexane mixture, gave clumps of white needles, mp 177°-178.5° C.; 1H-NMR (CDCl3): δ0.83 (s, 3H), 1.12 (s, 3H), 1.23 (s, 3H), 1.73-1.86 (m, 1H), 1.93-2.06 (m, 1H), 2.50-2.63 (m, 2H), 7.38-7.51 (m, 4H), 7.49-7.62 (m, 2H), 7.72 (d, J=9 Hz, 1H), 7.76 (d, J=2 Hz, 1H).

後処理

  1. customThe cooling bath was removed
  2. customto proceed at room temperature
  3. additionthe solution was diluted with 200 mL of CHCl3
  4. washwashed twice with 10% citric acid
  5. dry with materialUpon drying (MgSO4) the solvent
  6. customwas removed on a rotary evaporator
  7. washeluting with CHCl3

出典と根拠

ORDレコード
ord-dae9a2d7ef794132bc7dad088a52580b
出典データセット
uspto-grants-1997_09
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US05663169

反応ノート

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