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Triphenylphosphine → 4-Benzyl-1,4-diazabicyclo[3.2.1]octane

HRID 2117256
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HRID 2117256 반응식
N(C(OCC)=O)=NC(OCC)=O.C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.[CH2:32]([N:39]1[CH2:44][CH2:43][NH:42][CH2:41][CH:40]1[CH2:45][CH2:46]O)[C:33]1[CH:38]=[CH:37][CH:36]=[CH:35][CH:34]=1>C1COCC1>[CH2:32]([N:39]1[CH:40]2[CH2:41][N:42]([CH2:46][CH2:45]2)[CH2:43][CH2:44]1)[C:33]1[CH:38]=[CH:37][CH:36]=[CH:35][CH:34]=1
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참가 물질

5

반응물 3

HCID 11776TriphenylphosphineHCID 220568ethyl N-ethoxycarbonyliminocarbamateHCID 508533142-(1-Benzylpiperazin-2-yl)ethanol

생성물 1

HCID 598156164-Benzyl-1,4-diazabicyclo[3.2.1]octane수율 74.1%

시약·촉매·용매 1

HCID 8028Tetrahydrofuran용매2회

실험 절차

Diethyl azodicarboxylate (15.8 mL, 100 mmol) was slowly added to a solution of triphenylphosphine (26.2 g, 100 mmol) in THF (200 mL) while maintaining the reaction temperature below 20° C. After stirring this mixture for 30 min at RT, a solution of 2-(1-benzyl-piperazine-2-yl)-ethanol (11 g, 50 mmol) in THF (100 mL) was added while maintaining the reaction temperature below 20° C. The reaction mixture became turbid and the solvent was removed in vacuo after a period of 1 h. The residue was partitioned between water (20 mL) and ethyl acetate (50 mL) and the pH was adjusted to 2 with 6 N HCl. The phases were separated and the aqueous phase was extracted with EtOAc (50 mL) at pH 3.0, 4.5 and 10 (4×). The pH 10 extracts were combined, dried (Na2SO4), filtered and concentrated to an oil. The oil was triturated three times with hot hexanes (100 mL) to remove any remaining triphenylphosphine and triphenylphosphine oxide and the hexanes were decanted. The remaining oil was dried resulting in 7.5 g (74%) of the title compound: APCI MS m/z 203.2 (M+1).

후처리

  1. temperaturewhile maintaining the reaction temperature below 20° C
  2. temperaturewhile maintaining the reaction temperature below 20° C
  3. customthe solvent was removed in vacuo after a period of 1 h
  4. customThe residue was partitioned between water (20 mL) and ethyl acetate (50 mL)
  5. customThe phases were separated
  6. extractionthe aqueous phase was extracted with EtOAc (50 mL) at pH 3.0, 4.5 and 10 (4×)
  7. dry with materialdried (Na2SO4)
  8. filtrationfiltered
  9. concentrationconcentrated to an oil
  10. customThe oil was triturated three times with hot hexanes (100 mL)
  11. customto remove any remaining triphenylphosphine and triphenylphosphine oxide
  12. customthe hexanes were decanted
  13. customThe remaining oil was dried

출처 및 근거

ORD 기록
ord-b18290aaca1742949fa7c77fe05c394f
출처 데이터셋
uspto-grants-2008_10
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US07442694B2

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