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Sodium sulfate decahydrate → (E)-7'-bromo-4'-fluoro-2'-methoxy-6,7-dihydro-2H-spiro[[1,4]oxazepine-3,9'-xanthen]-5-amine

HRID 529399
ノート
印刷プレビュー

反応式

HRID 529399 の反応式
[NH2:1][C:2]1([CH2:20][O:21][CH2:22][CH2:23][C:24]#[N:25])[C:15]2[CH:14]=[C:13]([O:16][CH3:17])[CH:12]=[C:11]([F:18])[C:10]=2[O:9][C:8]2[C:3]1=[CH:4][C:5]([Br:19])=[CH:6][CH:7]=2.C[Al](C)C.O.O.O.O.O.O.O.O.O.O.S([O-])([O-])(=O)=O.[Na+].[Na+]>C1(C)C=CC=CC=1.CCOC(C)=O>[Br:19][C:5]1[CH:4]=[C:3]2[C:8]([O:9][C:10]3[C:11]([F:18])=[CH:12][C:13]([O:16][CH3:17])=[CH:14][C:15]=3[C:2]32[CH2:20][O:21][CH2:22][CH2:23][C:24]([NH2:25])=[N:1]3)=[CH:7][CH:6]=1
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

6

反応物 3

HCID 62649Sodium sulfate decahydrateHCID 16682925TrimethylaluminumHCID 682794503-((9-amino-7-bromo-4-fluoro-2-methoxy-9H-xanthen-9-yl)methoxy)propanenitrile

生成物 1

HCID 68279914(E)-7'-bromo-4'-fluoro-2'-methoxy-6,7-dihydro-2H-spiro[[1,4]oxazepine-3,9'-xanthen]-5-amine

試薬・触媒・溶媒 2

HCID 1140Toluene溶媒2 回
HCID 8857Ethyl Acetate溶媒

反応条件

温度
90 °C

実験手順

A 250-mL round-bottom flask was charged with 3-((9-amino-7-bromo-4-fluoro-2-methoxy-9H-xanthen-9-yl)methoxy)propanenitrile (2.78 g, 6.83 mmol) and toluene (45.5 mL) to give a pale-green solution. Trimethylaluminum (7.17 mL of a 2M solution in toluene, 14.34 mmol) was added, and a reflux condenser was attached. After stirring for 1 min, the flask was heated to 90° C. for 1 h. After this time, the mixture was cooled to RT. Sodium sulfate decahydrate (3.4 g) was added slowly over 5 min, and the mixture was stirred overnight. In the morning, the mixture was diluted with EtOAc (50 mL) and filtered through celite. The filter pad was washed with EtOAc (3×50 mL). The combined filtrates were concentrated to give a pale-yellow solid. The crude product was purified by chromatography on silica gel (0-10% MeOH/DCM) to give (E)-7′-bromo-4′-fluoro-2′-methoxy-6,7-dihydro-2H-spiro[[1,4]oxazepine-3,9′-xanthen]-5-amine as a white solid. 1H NMR (400 MHz, DMSO-d6) δ=7.53 (d, J=2.4 Hz, 1 H), 7.47 (dd, J=2.5, 8.6 Hz, 1 H), 7.18 (d, J=8.6 Hz, 1 H), 6.95 (dd, J=2.9, 12.3 Hz, 1 H), 6.69 (dd, J=1.5, 2.9 Hz, 1 H), 6.15 (br. s., 2 H), 3.83-3.69 (m, 5 H), 3.64-3.45 (m, 2 H), 3.00-2.74 (m, 2 H). MS m/z=411.0. Calc'd for C18H17BrFN2O3: 407.1.

後処理

  1. customto give a pale-green solution
  2. customa reflux condenser was attached
  3. temperatureAfter this time, the mixture was cooled to RT
  4. stirringthe mixture was stirred overnight
  5. filtrationfiltered through celite
  6. washThe filter pad was washed with EtOAc (3×50 mL)
  7. concentrationThe combined filtrates were concentrated
  8. customto give a pale-yellow solid
  9. customThe crude product was purified by chromatography on silica gel (0-10% MeOH/DCM)

出典と根拠

ORDレコード
ord-cfa756dbcadc4ab7a1ef6e3f48c7255f
出典データセット
uspto-grants-2016_05
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US09346827B2

反応ノート

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