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Triphenylphosphine dichloride → (E)-4-chloro-3-methyl-2-pentenoic acid methyl ester

HRID 1637727
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HRID 1637727 반응식
[CH3:1][O:2][C:3](=[O:10])/[CH:4]=[C:5](\[CH3:9])/[CH:6](O)[CH3:7].[Cl:11]P(Cl)(C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1>C(Cl)Cl>[CH3:1][O:2][C:3](=[O:10])/[CH:4]=[C:5](\[CH3:9])/[CH:6]([Cl:11])[CH3:7]
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참가 물질

4

반응물 2

HCID 260420Triphenylphosphine dichlorideHCID 53693084-Hydroxy-3-methylpent-2-enoic acid, methyl ester

생성물 1

HCID 86755256(E)-4-chloro-3-methyl-2-pentenoic acid methyl ester

시약·촉매·용매 1

HCID 6344Dichloromethane용매

실험 절차

To (E)-4-hydroxy-3-methyl-2-pentenoic acid methyl ester (1.00 g, 6.94 mmol) in methylene chloride cooled to -15° C. in a flame dried flask is added dichlorotriphenylphosphorane (2.47 g, 7.63 mmol). The reaction is warmed to ambient temperature, quenched by addition of ice (10 ml), extracted with methylene chloride (2×10 ml), washed with saline (10 ml), dried over sodium sulfate, concentrated in vacuo, and chromatographed on silica gel (230-400 mesh, 75 ml), eluting with hexane/ethyl acetate (95/5). The appropriate fractions are combined (Rf =0.55, TLC, hexane/ethyl acetate, 75/25) and concentrated in vacuo to give (E)-4-chloro-3-methyl-2-pentenoic acid methyl ester. 4-Amino-6-chloro-2-mercaptopyrimidine mesylate (0.30 g, 1.16 mmol) is dissolved in DMF (4 ml) and sodium hydride (0.06 g, 2.56 mmol) at ambient temperature followed by the addition of (E)-4-chloro-3-methyl-2-pentenoic acid methyl ester (0.19 g, 1.16 mmol). The reaction is stirred for 15 hours, quenched with excess water, extracted with ethyl acetate (3×15 ml). The extracts are combined, washed with saline (15 ml), dried over sodium sulfate, concentrated in vacuo and chromatographed on silica gel (230-400 mesh, 100 ml), eluting with hexane/ethyl acetate (85/15). The appropriate fractions are combined (Rf =0.18, TLC, hexane/ethyl acetate, 50/50) and concentrated in vacuo to give the title compound, mp 124-126° C.

후처리

  1. customdried flask
  2. customquenched by addition of ice (10 ml)
  3. extractionextracted with methylene chloride (2×10 ml)
  4. washwashed with saline (10 ml)
  5. dry with materialdried over sodium sulfate
  6. concentrationconcentrated in vacuo
  7. customchromatographed on silica gel (230-400 mesh, 75 ml)
  8. washeluting with hexane/ethyl acetate (95/5)
  9. concentrationconcentrated in vacuo

출처 및 근거

ORD 기록
ord-bcdd31224fec4c8e8f3bb5d9f626936c
출처 데이터셋
uspto-grants-2000_03
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US06043248

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