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4-Methylmorpholine → HCID 86595393、化合物

HRID 2211843
ノート
印刷プレビュー

反応式

HRID 2211843 の反応式
CN1CCOCC1.ClC(OCC(C)C)=O.[C:16]([O:20][C:21]([NH:23][C@H:24]([CH2:29][C:30]1[CH:35]=[C:34]([F:36])[C:33]([F:37])=[CH:32][C:31]=1[F:38])[CH2:25][C:26]([OH:28])=O)=[O:22])([CH3:19])([CH3:18])[CH3:17].Cl.[F:40][C:41]([F:59])([F:58])[O:42][C:43]1[CH:57]=[CH:56][C:46]([CH2:47][CH:48]2[NH:54][CH2:53][CH2:52][CH2:51][NH:50][C:49]2=[O:55])=[CH:45][CH:44]=1>ClCCl>[C:16]([O:20][C:21]([NH:23][C@H:24]([CH2:29][C:30]1[CH:35]=[C:34]([F:36])[C:33]([F:37])=[CH:32][C:31]=1[F:38])[CH2:25][C:26]([N:54]1[CH2:53][CH2:52][CH2:51][NH:50][C:49](=[O:55])[C@H:48]1[CH2:47][C:46]1[CH:45]=[CH:44][C:43]([O:42][C:41]([F:58])([F:59])[F:40])=[CH:57][CH:56]=1)=[O:28])=[O:22])([CH3:17])([CH3:18])[CH3:19]
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 4

HCID 79724-Methylmorpholine2 回HCID 62365Isobutyl chloroformateHCID 7146288(R)-3-(tert-butoxycarbonylamino)-4-(2,4,5-trifluorophenyl)butanoic acidHCID 21962078HCID 21962078、化合物

生成物 1

HCID 86595393HCID 86595393、化合物

試薬・触媒・溶媒 1

HCID 6344
Dichloromethane
溶媒

反応条件

温度
-20 °C

実験手順

N-Methylmorpholine (0.072 mL) and isobutyl chloroformate (0.039 mL) were added to a stirred solution of (3R)-3-[(tert-butoxycarbonyl)amino]-4-(2,4,5-trifluorophenyl)butanoic acid (95 mg) in dichloromethane (5 mL) at −20° C. and the resultant mixture was stirred for 30 min. Hexahydro-3-[4-(trifluoromethoxy)benzyl]-2H-1,4-diazepin-2-one hydrochloride obtained in Step D (91 mg) and IV-methylmorpholine (0.036 mL) were added. The reaction mixture was stirred for 30 min at −20° C. and 2 h at ambient temperature and then evaporated. The residue was purified by preparative TLC (silica gel, methanol/saturated aqueous ammonium hydroxide/dichloromethane 4.4:0.1:95.5), and the isomers were subsequently resolved by HPLC (ChiralPAK OD, 7% ethanol/hexane) to provide the slower eluting (R,R)-isomer.

後処理

  1. customevaporated
  2. customThe residue was purified by preparative TLC (silica gel, methanol/saturated aqueous ammonium hydroxide/dichloromethane 4.4:0.1:95.5)
  3. customto provide the
  4. washslower eluting (R,R)-isomer

出典と根拠

ORDレコード
ord-fe4bf9fbaa314b5080e4348b37b5c746
出典データセット
uspto-grants-2006_09
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US07101871B2

反応ノート

読み込み中…

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