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Methyl iodide → 3-[(2-Chloro-5-methyl-4-pyrimidinyl)(methyl)amino]-1-propanol

HRID 2235949
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HRID 2235949 반응식
[Si]([O:8][CH2:9][CH2:10][CH2:11][NH:12][C:13]1[C:18]([CH3:19])=[CH:17][N:16]=[C:15]([Cl:20])[N:14]=1)(C(C)(C)C)(C)C.[H-].[Na+].I[CH3:24]>CN(C=O)C>[Cl:20][C:15]1[N:14]=[C:13]([N:12]([CH3:24])[CH2:11][CH2:10][CH2:9][OH:8])[C:18]([CH3:19])=[CH:17][N:16]=1
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

5

반응물 3

HCID 6328Methyl iodideHCID 24758Sodium hydrideHCID 59300552N-(3-{[tert-butyl(dimethyl)silyl]oxy}propyl)-2-chloro-5-methyl-4-pyrimidinamine

생성물 1

HCID 593004673-[(2-Chloro-5-methyl-4-pyrimidinyl)(methyl)amino]-1-propanol수율 62%

시약·촉매·용매 1

HCID 6228Dimethylformamide용매

실험 절차

To a solution of N-(3-{[tert-butyl(dimethyl)silyl]oxy}propyl)-2-chloro-5-methyl-4-pyrimidinamine (Example 340, 5.00 g, 15.8 mmol) in DMF (60 mL) was added portionwise NaH (0.95 g, 60% dispersion in mineral oil, 23.7 mmol) [H2 evolution]. The heterogeneous mixture was stirred for 30 min, then iodomethane (1.97 mL, 31.7 mmol) was added. After 3 h of stirring at rt, the excess NaH was quenched by the slow addition of a saturated solution of NH4Cl [H2 evolution]. The product was extracted with Et2O. The combined organic layers were then dried (Na2SO4), filtered, and concentrated under reduced pressure. The residue was purified using a pad of silica gel (3:1 hexanes/EtOAc) and the desired fractions were concentrated under reduced pressure. The resulting silyl derivative was dissolved in a mixture of ethanol (46 mL) and HCl (4.2 mL of a 2 N aqueous solution), and stirred at rt until the reaction was complete (6-10 h). The reaction mixture was then concentrated under reduced pressure, diluted with EtOAc, and washed with a saturated solution of NaHCO3 and brine. The organic layer was dried (MgSO4), filtered, and concentrated under reduced pressure. The residue was purified by silica gel chromatography (3:1 hexanes/EtOAc) to yield the title compound (1.22 g, 62%). 1H NMR (400 MHz, CDCl3) δ 1.83 (qt, 2H), 2.32 (s, 3H), 3.19 (s, 3H), 3.56 (t, 2H), 3.69 (t, 2H), 7.70 (s, 1H).

후처리

  1. stirringAfter 3 h of stirring at rt
  2. customthe excess NaH was quenched by the slow addition of a saturated solution of NH4Cl [H2 evolution]
  3. extractionThe product was extracted with Et2O
  4. dry with materialThe combined organic layers were then dried (Na2SO4)
  5. filtrationfiltered
  6. concentrationconcentrated under reduced pressure
  7. customThe residue was purified
  8. concentrationthe desired fractions were concentrated under reduced pressure
  9. dissolutionThe resulting silyl derivative was dissolved in a mixture of ethanol (46 mL) and HCl (4.2 mL of a 2 N aqueous solution), and
  10. stirringstirred at rt until the reaction
  11. custom(6-10 h)
  12. concentrationThe reaction mixture was then concentrated under reduced pressure
  13. additiondiluted with EtOAc
  14. washwashed with a saturated solution of NaHCO3 and brine
  15. dry with materialThe organic layer was dried (MgSO4)
  16. filtrationfiltered
  17. concentrationconcentrated under reduced pressure
  18. customThe residue was purified by silica gel chromatography (3:1 hexanes/EtOAc)

출처 및 근거

ORD 기록
ord-d2f1272489994cebb13f4e33536c4e97
출처 데이터셋
uspto-grants-2010_05
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US07714004B2

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