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1-(2,3,6-Trifluorophenyl)propan-2-one → Isopropyl 2-(Boc-amino)-5-oxo-4-(2,3,6-trifluorophenyl)hexanoate

HRID 706370
ノート
印刷プレビュー

反応式

HRID 706370 の反応式
[F:1][C:2]1[C:7]([F:8])=[CH:6][CH:5]=[C:4]([F:9])[C:3]=1[CH2:10][C:11](=[O:13])[CH3:12].[C:14]([O:18][C:19]([NH:21][CH:22]([CH2:29]OS(C)(=O)=O)[C:23]([O:25][CH:26]([CH3:28])[CH3:27])=[O:24])=[O:20])([CH3:17])([CH3:16])[CH3:15].C(O[Li])(C)(C)C>CC(OC)(C)C.[Br-].[Zn+2].[Br-]>[C:14]([O:18][C:19]([NH:21][CH:22]([CH2:29][CH:10]([C:3]1[C:4]([F:9])=[CH:5][CH:6]=[C:7]([F:8])[C:2]=1[F:1])[C:11](=[O:13])[CH3:12])[C:23]([O:25][CH:26]([CH3:28])[CH3:27])=[O:24])=[O:20])([CH3:17])([CH3:16])[CH3:15]
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 552746091-(2,3,6-Trifluorophenyl)propan-2-oneHCID 89815000isopropyl N-(tert-butoxycarbonyl)-O-(methylsulfonyl)serinateHCID 178506942HCID 178506942、化合物

生成物 1

HCID 89814841Isopropyl 2-(Boc-amino)-5-oxo-4-(2,3,6-trifluorophenyl)hexanoate収率 67.5%

試薬・触媒・溶媒 2

HCID 10421208Zinc bromide触媒
HCID 15413
tert-Butyl methyl ether
溶媒

反応条件

温度
35 °C

実験手順

To a solution of 18 (195 g, 1.03 mol) in MTBE (1.8 L) was added zinc bromide (67 g, 0.30 mol) followed by 2 (390 g, 1.2 mol). tert-BuOLi (290 g, 3.6 mol) was then added in several portions while maintaining the reaction temperature below 40° C. The resulting mixture was stirred at 35° C. for 24 h and quenched into a mixture of 2 N HCl (5.6 L) and heptane (5 L) at 0° C. The organic layer was separated and washed with 5% aqueous NaHCO3 (5 L) twice. The resulting organic solution was concentrated under vacuum. The residue was dissolved in heptane (2 L) and the solution was concentrated again under vacuum. The resulting oil was dissolved in DMSO (2.5 L) and the solution was used in the next step without further purification. HPLC analysis indicated that the solution contained the desired product 19 (290 g, 67% yield) as the major component along with 5% of starting material 18. The analytically pure product 19 as one pair of diastereomers was isolated by chromatography on silica gel with ethyl acetate and heptane mixture as an eluant. HRMS: m/z calcd for C20H26F3NO5 418.1836 (M+H). found 418.1849.

後処理

  1. temperaturewhile maintaining the reaction temperature below 40° C
  2. customquenched into a mixture of 2 N HCl (5.6 L) and heptane (5 L) at 0° C
  3. customThe organic layer was separated
  4. washwashed with 5% aqueous NaHCO3 (5 L) twice
  5. concentrationThe resulting organic solution was concentrated under vacuum
  6. dissolutionThe residue was dissolved in heptane (2 L)
  7. concentrationthe solution was concentrated again under vacuum
  8. dissolutionThe resulting oil was dissolved in DMSO (2.5 L)
  9. customthe solution was used in the next step without further purification

出典と根拠

ORDレコード
ord-1530790ab55346a49ee807be473629e0
出典データセット
uspto-grants-2015_11
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US09174989B2

反応ノート

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