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HCID 68637794、化合物 → (tert-Butoxycarbonylmethyl-{4-[2,7-difluoro-9-hydroxy-3,6-bis-(2-methoxyethoxymethoxy)-9H-xanthen-9-yl]-2-hydroxy-phenyl}-amino)-acetic acid tert-butyl ester

HRID 2357129
ノート
印刷プレビュー

反応式

HRID 2357129 の反応式
[C:1]([O:5][C:6](=[O:62])[CH2:7][N:8]([C:17]1[CH:22]=[CH:21][C:20]([C:23]2([OH:53])[C:36]3[CH:35]=[C:34]([F:37])[C:33]([O:38][CH2:39][O:40][CH2:41][CH2:42][O:43][CH3:44])=[CH:32][C:31]=3[O:30][C:29]3[C:24]2=[CH:25][C:26]([F:52])=[C:27]([O:45][CH2:46][O:47][CH2:48][CH2:49][O:50][CH3:51])[CH:28]=3)=[CH:19][C:18]=1[O:54]CC1C=CC=CC=1)[CH2:9][C:10]([O:12][C:13]([CH3:16])([CH3:15])[CH3:14])=[O:11])([CH3:4])([CH3:3])[CH3:2]>C(O)C.CCOC(C)=O.[Pd]>[C:13]([O:12][C:10](=[O:11])[CH2:9][N:8]([CH2:7][C:6]([O:5][C:1]([CH3:4])([CH3:3])[CH3:2])=[O:62])[C:17]1[CH:22]=[CH:21][C:20]([C:23]2([OH:53])[C:36]3[CH:35]=[C:34]([F:37])[C:33]([O:38][CH2:39][O:40][CH2:41][CH2:42][O:43][CH3:44])=[CH:32][C:31]=3[O:30][C:29]3[C:24]2=[CH:25][C:26]([F:52])=[C:27]([O:45][CH2:46][O:47][CH2:48][CH2:49][O:50][CH3:51])[CH:28]=3)=[CH:19][C:18]=1[OH:54])([CH3:16])([CH3:15])[CH3:14]
参加物実験手順後処理出典と根拠反応ノート

参加物

5

反応物 1

HCID 68637794HCID 68637794、化合物

生成物 1

HCID 68638322(tert-Butoxycarbonylmethyl-{4-[2,7-difluoro-9-hydroxy-3,6-bis-(2-methoxyethoxymethoxy)-9H-xanthen-9-yl]-2-hydroxy-phenyl}-amino)-acetic acid tert-butyl ester収率 78.4%

試薬・触媒・溶媒 3

HCID 23938Palladium触媒HCID 702Ethanol溶媒HCID 8857Ethyl Acetate
溶媒

実験手順

To a solution of 14 (956 mg, 1.1 mmol) in 95% ethanol (25 mL) and EtOAc (25 mL) was added 10% Pd/C (130 mg). The resulting mixture was stirred at room temperature overnight under H2 (1 atm). The catalyst was then removed by filtration and, after evaporation to dryness, the crude product was purified by flash column chromatography, eluting with 40% EtOAc in hexane (with 0.1% Et3N) to yield 671 mg (78%) of 15 as a light yellow oil. Rf=0.3 (in 40% EtOAc/hexane); 1H NMR (300 MHz, CDCl3) δ 8.1 (s, 1H), 7.18 (d, 1H, J=8.0 Hz), 6.95 (d, 2H, J=7.2 Hz), 6.69 (m, 3H), 6.57 (m, 1H), 5.28 (s, 4H), 4.94 (s, 1H), 3.85 (m, 4H), 3.69 (s, 4H), 3.57 (m, 4H), 3.38 (s, 6H), 1.41 (s, 18H); 13C NMR (75 MHz, CDCl3) δ 171.2, 153.8, 150.6, 147.4, 146.5, 144.8, 144.4, 144.2, 136.3, 126.3, 119.6, 116.7, 116.6, 116.1, 115.8, 115.5, 105.9, 94.6, 81.9, 71.4, 68.0, 59.0, 56.9, 43.1, 27.9; 19F NMR (282 MHz, CDCl3) δ −140.4 (dd, 2 F); mass spectrum, calculated for C46H55F2NO13 (M−17) 761.3, Found 761.7.

後処理

  1. customThe catalyst was then removed by filtration
  2. customafter evaporation to dryness
  3. customthe crude product was purified by flash column chromatography
  4. washeluting with 40% EtOAc in hexane (with 0.1% Et3N)

出典と根拠

ORDレコード
ord-e93c4db7be3a4944a0d52369228c6053
出典データセット
uspto-grants-2010_07
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US07759459B2

反応ノート

読み込み中…

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