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

Trifluoroacetic acid → HCID 86749246, 화합물

HRID 2396088
노트
인쇄 미리보기

반응식

HRID 2396088 반응식
C(OC([NH:8][C@@H:9]([CH2:19][S:20]C(C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1)[CH2:10][N:11]1[CH2:18][CH2:17][CH2:16][C@H:12]1[C:13]([OH:15])=[O:14])=O)(C)(C)C.[Cl:40][C:41]1[C:49]([Cl:50])=[CH:48][CH:47]=[CH:46][C:42]=1[C:43]([NH2:45])=[O:44].C(C(O)=O)(F)(F)F.C([SiH](CC)CC)C>C(Cl)Cl>[NH2:8][C@@H:9]([CH2:19][SH:20])[CH2:10][N:11]1[CH2:18][CH2:17][CH2:16][C@H:12]1[C:13]([OH:15])=[O:14].[Cl:40][C:41]1[C:49]([Cl:50])=[CH:48][CH:47]=[CH:46][C:42]=1[C:43]([NH2:45])=[O:44]
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

5

반응물 3

HCID 6422Trifluoroacetic acidHCID 12052TriethylsilaneHCID 67768232HCID 67768232, 화합물

생성물 1

HCID 86749246HCID 86749246, 화합물

시약·촉매·용매 1

HCID 6344Dichloromethane용매

실험 절차

N-[2(R)-t-Butoxycarbonylamino-3-triphenylmethylmercaptopropyl]-L-proline-2,3-dichlorobenzamide (0.097 g, 0.14 mmol) was dissolved in CH2Cl2(3 mL), CF3CO2H (1 mL) at ambient temperature, treated with triethylsilane (0.088 mL, 0.55 mmol) and stirred for 1 h. The reaction mixture was triturated with 0.1% TFA in H2O, filtered, concentrated and chromatographed by RP-HPLC and lyophilized. The residue was dissolved in MeOH (1 mL), treated with concd HCl, concentrated and triturated with Et2O to provide the title compound as the his hydrochloride salt. 1H NMR (CD3OD) δ 7.50 (d, 1H, J=6 Hz), 7.27-7.4 (m, 2H),4.60 (ABq, 2H), 4.25-4.7 (m, 1H), 3.3-3.9 (m, 5H), 2.99 (d, 2H, J=5 Hz), 2.5-2.7 (m, 1H), 2.0-2.3 (m, 3H).

후처리

  1. customThe reaction mixture was triturated with 0.1% TFA in H2O
  2. filtrationfiltered
  3. concentrationconcentrated
  4. customchromatographed by RP-HPLC
  5. dissolutionThe residue was dissolved in MeOH (1 mL)
  6. additiontreated with concd HCl
  7. concentrationconcentrated
  8. customtriturated with Et2O

출처 및 근거

ORD 기록
ord-b336e46afc034c61a3b725889434c987
출처 데이터셋
uspto-grants-1996_02
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US05491164

반응 노트

불러오는 중…

이 페이지에서참가 물질실험 절차후처리출처 및 근거반응 노트