홈MCP워크벤치Skills
홈워크벤치알림마이페이지
llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
  1. 홈
  2. /반응

Ethylmorpholine → (2R, 5E)-2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]-N-[(1S)-2,2-dimethyl-1-({[(1R)-1-phenylethyl]amino}carbonyl)propyl]-5-(3-fluoro-4-phenoxyphenyl)pent-4-enamide

HRID 1700987
노트
인쇄 미리보기

반응식

HRID 1700987 반응식
CC1C=CC=CC=1P(C1C=CC=CC=1C)C1C=CC=CC=1C.[CH3:23][C:24]1([CH3:53])[O:28][C@@H:27]([C@@H:29]([CH2:49][CH:50]=[CH2:51])[C:30]([NH:32][C@H:33]([C:38]([NH:40][C@@H:41]([C:43]2[CH:48]=[CH:47][CH:46]=[CH:45][CH:44]=2)[CH3:42])=[O:39])[C:34]([CH3:37])([CH3:36])[CH3:35])=[O:31])[C:26](=[O:52])[O:25]1.Br[C:55]1[CH:60]=[CH:59][C:58]([O:61][C:62]2[CH:67]=[CH:66][CH:65]=[CH:64][CH:63]=2)=[C:57]([F:68])[CH:56]=1.C(N1CCOCC1)C>C(#N)C.C([O-])(=O)C.[Pd+2].C([O-])(=O)C>[CH3:53][C:24]1([CH3:23])[O:28][C@@H:27]([C@@H:29]([CH2:49]/[CH:50]=[CH:51]/[C:55]2[CH:60]=[CH:59][C:58]([O:61][C:62]3[CH:63]=[CH:64][CH:65]=[CH:66][CH:67]=3)=[C:57]([F:68])[CH:56]=2)[C:30]([NH:32][C@H:33]([C:38]([NH:40][C@@H:41]([C:43]2[CH:48]=[CH:47][CH:46]=[CH:45][CH:44]=2)[CH3:42])=[O:39])[C:34]([CH3:35])([CH3:36])[CH3:37])=[O:31])[C:26](=[O:52])[O:25]1
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

7

반응물 4

HCID 7525EthylmorpholineHCID 80271Tri-o-tolylphosphineHCID 227363164-Bromo-2-fluoro-1-phenoxybenzeneHCID 57042918(2R)-2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]-N-[(1S)-2,2-dimethyl-1-({[(1R)-1-phenylethyl]amino}carbonyl)propyl]pent-4-enamide

생성물 1

HCID 59875800
(2R, 5E)-2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]-N-[(1S)-2,2-dimethyl-1-({[(1R)-1-phenylethyl]amino}carbonyl)propyl]-5-(3-fluoro-4-phenoxyphenyl)pent-4-enamide
수율 22.7%

시약·촉매·용매 2

HCID 167845palladium(II) acetate촉매HCID 6342Acetonitrile용매2회

실험 절차

A mixture of palladium acetate (17 mg, 0.075 mmol) and tri-(2-methylphenyl)phosphine (46 mg, 0.15 mmol) in anhydrous acetonitrile (2 mL) was sonicated at room temperature for 1 min until a creamy-coloured suspension formed. This suspension was added via Pasteur pipette to a stirred solution of (2R)-2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]-N-[(1S)-2,2-dimethyl-1-({[(1R)-1-phenylethyl]amino}carbonyl)propyl]pent-4-enamide (650 mg, 1.5 mmol), 1-bromo-3-fluoro-4-phenoxybenzene (Preparation 10)(587 mg, 2.26 mmol), and N-ethylmorpholine (348 μL, 3.0 mmol) in anhydrous acetonitrile (2.5 mL) under nitrogen. The mixture was purged with nitrogen, then heated at reflux for 16 h. After being cooled, the mixture was poured into ethyl acetate (100 mL) and washed with 5% aqueous citric acid (30 mL), saturated aqueous sodium chloride (50 mL), dried (NaSO4), and concentrated under reduced pressure. The residue was purified by flash chromatography (gradient elution with dichloromethane:ether) to give mainly (2R, 5E)-2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]-N-[(1S)-2,2-dimethyl-1-({[(1R)-1-phenylethyl]amino}carbonyl)propyl]-5-(3-fluoro-4-phenoxyphenyl)pent-4-enamide as a pale yellow foam (210 mg, 22%). 1H nmr suggested that alkene isomers were also present. The mixture of alkenes was taken onto the next step (see b, below).

후처리

  1. customwas sonicated at room temperature for 1 min until a creamy-coloured suspension
  2. customformed
  3. customThe mixture was purged with nitrogen
  4. temperatureheated
  5. temperatureat reflux for 16 h
  6. temperatureAfter being cooled
  7. additionthe mixture was poured into ethyl acetate (100 mL)
  8. washwashed with 5% aqueous citric acid (30 mL), saturated aqueous sodium chloride (50 mL)
  9. dry with materialdried (NaSO4)
  10. concentrationconcentrated under reduced pressure
  11. customThe residue was purified by flash chromatography (gradient elution with dichloromethane:ether)

출처 및 근거

ORD 기록
ord-a5347c3f957541cf8803a97585d0dca6
출처 데이터셋
uspto-grants-2002_02
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US06350907B1

반응 노트

불러오는 중…

이 페이지에서참가 물질실험 절차후처리출처 및 근거반응 노트