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

Hydrochloric Acid → (S)-3-(3-(Aminomethyl)-1,2,3,4-tetrahydroisoquinoline-2-carbonyl)-4-(2-(dibutylamino)pyrimidin-4-yl)-N-(naphthalen-2-ylsulfonyl)benzamide

HRID 529040
노트
인쇄 미리보기

반응식

HRID 529040 반응식
[CH2:1]([N:5]([CH2:37][CH2:38][CH2:39][CH3:40])[C:6]1[N:11]=[C:10]([C:12]2[CH:20]=[CH:19][C:18]([C:21](=[O:36])[NH:22][S:23]([C:26]3[CH:35]=[CH:34][C:33]4[C:28](=[CH:29][CH:30]=[CH:31][CH:32]=4)[CH:27]=3)(=[O:25])=[O:24])=[CH:17][C:13]=2[C:14](O)=[O:15])[CH:9]=[CH:8][N:7]=1)[CH2:2][CH2:3][CH3:4].[N:41]([CH2:44][C@@H:45]1[CH2:54][C:53]2[C:48](=[CH:49][CH:50]=[CH:51][CH:52]=2)[CH2:47][NH:46]1)=[N+]=[N-].C1C=CC(P(C2C=CC=CC=2)C2C=CC=CC=2)=CC=1.[OH-].[Na+].Cl>C1COCC1>[NH2:41][CH2:44][C@@H:45]1[CH2:54][C:53]2[C:48](=[CH:49][CH:50]=[CH:51][CH:52]=2)[CH2:47][N:46]1[C:14]([C:13]1[CH:17]=[C:18]([CH:19]=[CH:20][C:12]=1[C:10]1[CH:9]=[CH:8][N:7]=[C:6]([N:5]([CH2:37][CH2:38][CH2:39][CH3:40])[CH2:1][CH2:2][CH2:3][CH3:4])[N:11]=1)[C:21]([NH:22][S:23]([C:26]1[CH:35]=[CH:34][C:33]2[C:28](=[CH:29][CH:30]=[CH:31][CH:32]=2)[CH:27]=1)(=[O:25])=[O:24])=[O:36])=[O:15]
참가 물질반응 조건실험 절차후처리출처 및 근거반응 노트

참가 물질

7

반응물 5

HCID 313Hydrochloric AcidHCID 11776TriphenylphosphineHCID 14798Sodium HydroxideHCID 710607202-(2-(Dibutylamino)pyrimidin-4-yl)-5-(naphthalen-2-ylsulfonylcarbamoyl)benzoic acid2회HCID 86718892(S)-3-(Azidomethyl)-1,2,3,4-tetrahydroisoquinoline2회

생성물 1

HCID 70690001
(S)-3-(3-(Aminomethyl)-1,2,3,4-tetrahydroisoquinoline-2-carbonyl)-4-(2-(dibutylamino)pyrimidin-4-yl)-N-(naphthalen-2-ylsulfonyl)benzamide
수율 52%

시약·촉매·용매 1

HCID 8028Tetrahydrofuran용매

반응 조건

온도
50 °C

실험 절차

Following a procedure analogous to that for the synthesis of Example 303, 2-(2-(dibutylamino)pyrimidin-4-yl)-5-(naphthalen-2-ylsulfonylcarbamoyl)benzoic acid (Intermediate 303E, 25 mg, 0.05 mmol) was reacted with ((S)-3-(azidomethyl)-1,2,3,4-tetrahydroisoquinoline (Intermediate 92A, 11 mg, 0.06 mmol) and provided a crude oil which was dissolved in THF (1.1 mL). PPh3 (10 mg, 0.014 mmol) was added followed by aq. 0.5N NaOH (100 μL). The resulting reaction mixture was stirred at 50° C. for 1.5 h and then neutralized with 1N HCl solution (100 μL). The volatiles were removed in vacuo, and the residue was purified by preparative HPLC to give the title compound (5 mg, 52%). MS(ESI+) m/z 705.2 (M+H)+.

후처리

  1. customprovided a crude oil which
  2. customThe resulting reaction mixture
  3. customThe volatiles were removed in vacuo
  4. customthe residue was purified by preparative HPLC

출처 및 근거

ORD 기록
ord-00e16baba92e4c6e94a5955220834a15
출처 데이터셋
uspto-grants-2016_05
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US09346795B2

반응 노트

불러오는 중…

이 페이지에서참가 물질반응 조건실험 절차후처리출처 및 근거반응 노트