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

Trifluoroacetic acid → HCID 67971684, 화합물

HRID 1804635
노트
인쇄 미리보기

반응식

HRID 1804635 반응식
[CH3:1][C@@H:2]1[N:7]([CH2:8][C:9]2[CH:14]=[CH:13][CH:12]=[CH:11][N:10]=2)[CH2:6][CH2:5][N:4](C(OC(C)(C)C)=O)[CH2:3]1.C(O)(C(F)(F)F)=O>C(Cl)Cl>[CH3:1][C@H:2]1[CH2:3][NH:4][CH2:5][CH2:6][N:7]1[CH2:8][C:9]1[CH:14]=[CH:13][CH:12]=[CH:11][N:10]=1
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

4

반응물 2

HCID 6422Trifluoroacetic acidHCID 67986528tert-butyl (3S)-3-methyl-4-(pyridin-2-ylmethyl)piperazine-1-carboxylate

생성물 1

HCID 67971684HCID 67971684, 화합물수율 21%

시약·촉매·용매 1

HCID 6344Dichloromethane용매

실험 절차

To a solution of the title compound from step A (320 mg, 1.1 mmol) in DCM (5 ml) was added TFA (2.1 ml, 27.5 mmol) and the resulting mixture stirred at RT for 4 h. Mixture evaporated and residue dissolved in MeOH and passed through an SCX cartridge (eluting with 2M ammonia in methanol) to form free base. Evaporated and residue lypholized from CH3CN/water to afford the title compound 44 mg (21%) as an orange oil. 1H NMR (CDCl3): 1.14 (d, J 6.2 Hz, 3H), 2.24 (m, 1H), 2.47 (m, 1H), 2.64 (dd, J 12.3 and 9.3 Hz, 1H), 2.73 (m, 1H), 2.87-2.97 (m, 3H), 3.44 (d, J 14.2 Hz, 1H), 4.14 (d, J 14.3 Hz, 1H), 7.17 (dd, J 7.0 and 5.4, 1H), 7.47 (d, J 7.8, 1H), 7.66 (m, 1H), 8.56 (d, J 4.7 Hz, 1H).

후처리

  1. customMixture evaporated
  2. dissolutionresidue dissolved in MeOH
  3. washpassed through an SCX cartridge (eluting with 2M ammonia in methanol)
  4. customto form free base
  5. customEvaporated

출처 및 근거

ORD 기록
ord-7f8d9e9c42eb46e6b5dd7e567fe40ca1
출처 데이터셋
uspto-grants-2013_01
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08354403B2

반응 노트

불러오는 중…

이 페이지에서참가 물질실험 절차후처리출처 및 근거반응 노트