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

Hydrochloric Acid → (3R)-3-Methyl-1-{[4-(trifluoromethyl)phenyl]sulfonyl}piperazine

HRID 41301
노트
인쇄 미리보기

반응식

HRID 41301 반응식
[CH3:1][C@@H:2]1[CH2:7][NH:6][CH2:5][CH2:4][N:3]1C(OC(C)(C)C)=O.CCN(C(C)C)C(C)C.[F:24][C:25]([F:37])([F:36])[C:26]1[CH:31]=[CH:30][C:29]([S:32](Cl)(=[O:34])=[O:33])=[CH:28][CH:27]=1.Cl.O1CCOCC1>C(Cl)Cl>[CH3:1][C@H:2]1[NH:3][CH2:4][CH2:5][N:6]([S:32]([C:29]2[CH:28]=[CH:27][C:26]([C:25]([F:24])([F:36])[F:37])=[CH:31][CH:30]=2)(=[O:34])=[O:33])[CH2:7]1
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

7

반응물 5

HCID 313Hydrochloric AcidHCID 312751,4-DioxaneHCID 81531DiisopropylethylamineHCID 27773994-(Trifluoromethyl)benzenesulfonyl chlorideHCID 10262201tert-Butyl (2R)-2-methylpiperazine-1-carboxylate

생성물 1

HCID 59152114(3R)-3-Methyl-1-{[4-(trifluoromethyl)phenyl]sulfonyl}piperazine
수율 82.8%

시약·촉매·용매 1

HCID 6344Dichloromethane용매

실험 절차

To a solution of 1,1-dimethylethyl (2R)-2-methyl-1-piperazinecarboxylate (2.95 g, 14.73 mmol) in DCM (120 ml) was added DIPEA (5.40 ml, 30.9 mmol) and then 4-(trifluoromethyl)benzenesulfonyl chloride (3.96 g, 16.20 mmol). The reaction mixture was stirred 2.5 hours at room temperature then washed with water (250 ml), dried on a phase separation cartridge and concentrated in vacuo. The obtained product was dissolved in 1,4-dioxane (60 ml) and treated with 4M aq. HCl in 1,4-dioxane (18.41 ml, 73.6 mmol) overnight. The mixture was concentrated under vacuo then dissolved in EtOAc (150 ml), washed with 2N aq. NaOH solution (200 ml) then dried on a phase separation cartridge and concentrated in vacuo. The product was then dissolved in EtOAc (100 ml) and extracted with 2M aq. HCl (2×200 ml). 2M aq. NaOH solution was added to the aqueous layer until basic pH then the product was extracted with EtOAc (500 ml). The organic layer was dried on a phase separation cartridge and concentrated under vacuo to give the title compound (3.76 g).

후처리

  1. washthen washed with water (250 ml)
  2. customdried on a phase separation cartridge
  3. concentrationconcentrated in vacuo
  4. dissolutionThe obtained product was dissolved in 1,4-dioxane (60 ml)
  5. concentrationThe mixture was concentrated under vacuo
  6. dissolutionthen dissolved in EtOAc (150 ml)
  7. washwashed with 2N aq. NaOH solution (200 ml)
  8. customthen dried on a phase separation cartridge
  9. concentrationconcentrated in vacuo
  10. dissolutionThe product was then dissolved in EtOAc (100 ml)
  11. extractionextracted with 2M aq. HCl (2×200 ml)
  12. addition2M aq. NaOH solution was added to the aqueous layer until basic pH
  13. extractionthe product was extracted with EtOAc (500 ml)
  14. customThe organic layer was dried on a phase separation cartridge
  15. concentrationconcentrated under vacuo

출처 및 근거

ORD 기록
ord-d3137f999bd044c2959e47deda987ed7
출처 데이터셋
uspto-grants-2013_09
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08530478B2

반응 노트

불러오는 중…

이 페이지에서참가 물질실험 절차후처리출처 및 근거반응 노트