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Hydrochloric Acid → HCID 69083988、化合物

HRID 1396243
ノート
印刷プレビュー

反応式

HRID 1396243 の反応式
[OH:1][CH2:2][C@H:3]1[O:11][C@H:10]2[C@H:6]([N:7]=[C:8]([N:12]([CH3:20])[C:13](=[O:19])[O:14][C:15]([CH3:18])([CH3:17])[CH3:16])[S:9]2)[C@@H:5]([O:21][CH2:22][C:23]2[CH:28]=[CH:27][C:26]([O:29][CH3:30])=[CH:25][CH:24]=2)[C@@H:4]1[O:31][CH2:32][C:33]1[CH:38]=[CH:37][C:36]([O:39][CH3:40])=[CH:35][CH:34]=1.C1C(=O)N(Br)C(=[O:44])C1.Cl>CCCC[N+](CCCC)(CCCC)CCCC.[Br-].ClCCl.O.CC1(C)N([O])C(C)(C)CCC1>[C:15]([O:14][C:13]([N:12]([CH3:20])[C:8]1[S:9][C@H:10]2[O:11][C@H:3]([C:2]([OH:44])=[O:1])[C@@H:4]([O:31][CH2:32][C:33]3[CH:38]=[CH:37][C:36]([O:39][CH3:40])=[CH:35][CH:34]=3)[C@H:5]([O:21][CH2:22][C:23]3[CH:28]=[CH:27][C:26]([O:29][CH3:30])=[CH:25][CH:24]=3)[C@H:6]2[N:7]=1)=[O:19])([CH3:17])([CH3:16])[CH3:18]
参加物実験手順後処理出典と根拠反応ノート

参加物

8

反応物 3

HCID 313Hydrochloric AcidHCID 67184N-bromobutanimideHCID 69280765HCID 69280765、化合物

生成物 1

HCID 69083988HCID 69083988、化合物収率 58.6%

試薬・触媒・溶媒 4

HCID 74236Tetrabutylammonium Bromide触媒HCID 2724126
Tempo
触媒
HCID 962Water溶媒
HCID 6344Dichloromethane溶媒

実験手順

A mixture of tert-butyl (3aR,5R,6S,7R,7aR)-5-(hydroxymethyl)-6,7-bis(4-methoxybenzyloxy)-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d]thiazol-2-yl(methyl)carbamate (1 g, 1.74 mmol), KHCO3 (780 mg, 7.8 mmol), TBAB (28 mg, 0.09 mmol) and TEMPO (14 mg, 0.09 mmol) in dichloromethane (30 mL) and H2O (6 mL) was treated with NBS (620 mg, 3.5 mmol) overnight at room temperature. The reaction mixture was adjusted to acidic (pH at 3) with hydrochloric acid, and then extracted with dichloromethane (3×20 mL). The combined organic layers were dried over anhydrous sodium sulfate and concentrated under vacuum to provide a residue, which was purified by a silica gel column, eluted with 20˜50% ethyl acetate in petroleum ether to give compound 29 as a white solid (600 mg, 58%). (ES, m/z): [M+H]+ 589.0, 1H NMR (300 MHz, CDCl3) δ 7.25-7.32 (m, 2H), 6.85-6.90 (m, 2H), 6.08-6.10 (d, J=6.3 Hz, 1H), 4.50-4.62 (m, 5H), 4.22-4.29 (m, 2H), 3.97 (m, 1H), 3.81 (s, 6H), 3.34 (s, 3H), 1.54 (s, 9H).

後処理

  1. extractionextracted with dichloromethane (3×20 mL)
  2. dry with materialThe combined organic layers were dried over anhydrous sodium sulfate
  3. concentrationconcentrated under vacuum
  4. customto provide a residue, which
  5. customwas purified by a silica gel column
  6. washeluted with 20˜50% ethyl acetate in petroleum ether

出典と根拠

ORDレコード
ord-89187e5580c748e7afd4f1403f980465
出典データセット
uspto-grants-2014_12
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US08901087B2

反応ノート

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