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

Acetic Acid → (+/-)-1-{3-[2,4-Bis(methoxymethoxy)phenyl]cyclohexyl}piperazine

HRID 2307103
노트
인쇄 미리보기

반응식

HRID 2307103 반응식
[CH3:1][O:2][CH2:3][O:4][C:5]1[CH:10]=[C:9]([O:11][CH2:12][O:13][CH3:14])[CH:8]=[CH:7][C:6]=1[CH:15]1[CH2:20][CH2:19][CH2:18][C:17](=O)[CH2:16]1.[NH:22]1[CH2:27][CH2:26][NH:25][CH2:24][CH2:23]1.C(O[BH-](OC(=O)C)OC(=O)C)(=O)C.C[N+](C)(C)C.C(O)(=O)C>ClC(Cl)C>[CH3:1][O:2][CH2:3][O:4][C:5]1[CH:10]=[C:9]([O:11][CH2:12][O:13][CH3:14])[CH:8]=[CH:7][C:6]=1[CH:15]1[CH2:20][CH2:19][CH2:18][CH:17]([N:22]2[CH2:27][CH2:26][NH:25][CH2:24][CH2:23]2)[CH2:16]1
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

6

반응물 4

HCID 176Acetic AcidHCID 4837Piperazine2회HCID 13696215Tetramethylammonium Triacetoxyborohydride (>90%)2회HCID 22337753(+/-)-3-[2,4-Bis(methoxymethoxy)phenyl]cyclohexanone

생성물 1

HCID 22337793(+/-)-1-{3-[2,4-Bis(methoxymethoxy)phenyl]cyclohexyl}piperazine

시약·촉매·용매 1

HCID 6365
1,1-Dichloroethane
용매

실험 절차

(±)-3-[2,4-Bis(methoxymethoxy)phenyl]cyclohexanone (80 mg) and piperazine (24 mg) were dissolved in dichloroethane (5 ml) and stirred at ambient temperature for 1 hr under argon. Tetramethylammonium triacetoxyborohydride (79 mg) was added and stirring continued under argon. After 16 hr, additional portions of piperazine (24 mg) and tetramethylammonium triacetoxyborohydride (79 mg) were added and stirring continued. After a further 6 hr, glacial acetic acid was added dropwise until a solution was obtained, and stirring continued at ambient temperature. After a further 16 hr, the reaction mixture was partitioned between sodium hydrogen carbonate (20 ml of a saturated solution) and ethyl acetate. The aqueous layer was extracted with ethyl acetate (3×20 ml), and the combined organic extracts were dried over magnesium sulfate and evaporated in vacuo. The crude residue was purified by flash column chromatography chromatography (SiO2, dichloromethane/methanol, 9:1 v/v) to furnish the title compound as an off white solid (52 mg, 53%) and mixture of diastereoisomers; m/z (ES+) 365 (M+H)+.

후처리

  1. stirringstirring
  2. waitAfter 16 hr
  3. stirringstirring
  4. waitAfter a further 6 hr
  5. customwas obtained
  6. stirringstirring
  7. customcontinued at ambient temperature
  8. waitAfter a further 16 hr
  9. customthe reaction mixture was partitioned between sodium hydrogen carbonate (20 ml of a saturated solution) and ethyl acetate
  10. extractionThe aqueous layer was extracted with ethyl acetate (3×20 ml)
  11. dry with materialthe combined organic extracts were dried over magnesium sulfate
  12. customevaporated in vacuo
  13. customThe crude residue was purified by flash column chromatography chromatography (SiO2, dichloromethane/methanol, 9:1 v/v)

출처 및 근거

ORD 기록
ord-d60cd5cbace34488b43cf98842305d33
출처 데이터셋
uspto-grants-2004_12
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US06828460B2

반응 노트

불러오는 중…

이 페이지에서참가 물질실험 절차후처리출처 및 근거반응 노트