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Acetic Acid → HCID 57501273, 화합물

HRID 2354336
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HRID 2354336 반응식
CN.[Br:3][C:4]1[CH:5]=[C:6]([C:10](=O)[CH2:11][N:12]2[CH2:16][CH2:15][CH2:14][CH2:13]2)[CH:7]=[CH:8][CH:9]=1.[C:18]([BH3-])#[N:19].[Na+].C(O)(=O)C>C1COCC1>[Br:3][C:4]1[CH:5]=[C:6]([CH:10]([NH:19][CH3:18])[CH2:11][N:12]2[CH2:16][CH2:15][CH2:14][CH2:13]2)[CH:7]=[CH:8][CH:9]=1
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

6

반응물 4

HCID 176Acetic AcidHCID 6329MethylamineHCID 5003444Sodium cyanoborohydrideHCID 43227580HCID 43227580, 화합물

생성물 1

HCID 57501273HCID 57501273, 화합물수율 48%

시약·촉매·용매 1

HCID 8028Tetrahydrofuran용매2회

실험 절차

2.0 M methylamine solution in THF (55 mL, 110.0 mmol) was added to a solution of 1-(3-bromophenyl)-2-(1-pyrrolidinyl)ethanone (7.40 g, 27.62 mmol) in anhydrous THF (30 mL) at room temperature. The reaction mixture was stirred for 1 h and then sodium cyanoborohydride (5.21 g, 82.86 mmol) and acetic acid (3 mL) were added. The resulting reaction mixture was continually stirred at room temperature for 96 h until the starting material was consumed completely. Saturated K2CO3 solution (100 mL) was added and after stirring for 15 min, the solution was extracted with ethyl acetate (2×80 mL). The organic layers were combined, dried over Na2SO4, and concentrated. The resulting residue was isolated by column chromatography on silica gel (MeOH/EtOAc, 1:10) to yield the title compound as a yellow oil (3.75 g, 48%), MS (ES) m/e 283[M+H]+.

후처리

  1. customThe resulting reaction mixture
  2. stirringwas continually stirred at room temperature for 96 h until the starting material
  3. customwas consumed completely
  4. additionSaturated K2CO3 solution (100 mL) was added
  5. stirringafter stirring for 15 min
  6. extractionthe solution was extracted with ethyl acetate (2×80 mL)
  7. dry with materialdried over Na2SO4
  8. concentrationconcentrated
  9. customThe resulting residue was isolated by column chromatography on silica gel (MeOH/EtOAc, 1:10)

출처 및 근거

ORD 기록
ord-b08c7f1d06fc49e0a1e9ea6aa0a9cd3d
출처 데이터셋
uspto-grants-2010_07
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US07749998B2

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