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

Pyridine → tert-butyl 2-((R)-2-(4-chloro-1H-pyrazol-1-yl)propanamido)-6-((R)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl)pyridin-3-ylcarbamate

HRID 931285
노트
인쇄 미리보기

반응식

HRID 931285 반응식
[Cl:1][C:2]1[CH:3]=[N:4][N:5]([C@H:7]([CH3:11])[C:8]([OH:10])=O)[CH:6]=1.[NH2:12][C:13]1[C:18]([NH:19][C:20](=[O:26])[O:21][C:22]([CH3:25])([CH3:24])[CH3:23])=[CH:17][CH:16]=[C:15]([N:27]2[CH2:32][CH2:31][CH2:30][C@@H:29]([C:33]([N:35]3[CH2:39][CH2:38][CH2:37][CH2:36]3)=[O:34])[CH2:28]2)[N:14]=1.N1C=CC=CC=1.CCCP1(OP(CCC)(=O)OP(CCC)(=O)O1)=O>C(OCC)(=O)C>[Cl:1][C:2]1[CH:3]=[N:4][N:5]([C@H:7]([CH3:11])[C:8]([NH:12][C:13]2[C:18]([NH:19][C:20](=[O:26])[O:21][C:22]([CH3:25])([CH3:24])[CH3:23])=[CH:17][CH:16]=[C:15]([N:27]3[CH2:32][CH2:31][CH2:30][C@@H:29]([C:33]([N:35]4[CH2:39][CH2:38][CH2:37][CH2:36]4)=[O:34])[CH2:28]3)[N:14]=2)=[O:10])[CH:6]=1
참가 물질반응 조건실험 절차후처리출처 및 근거반응 노트

참가 물질

6

반응물 4

HCID 1049PyridineHCID 111923Propylphosphonic anhydrideHCID 7017611(2R)-2-(4-chloropyrazol-1-yl)propanoic acidHCID 89857073(R)-tert-Butyl 2-amino-6-(3-(pyrrolidine-1-carbonyl)piperidin-1-yl)pyridin-3-ylcarbamate

생성물 1

HCID 117966285tert-butyl 2-((R)-2-(4-chloro-1H-pyrazol-1-yl)propanamido)-6-((R)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl)pyridin-3-ylcarbamate
수율 98.2%

시약·촉매·용매 1

HCID 8857Ethyl Acetate용매

반응 조건

온도
0 °C

실험 절차

(R)-2-(4-Chloro-1H-pyrazol-1-yl)propanoic acid (105 mg, 0.60 mmol) and (R)-tert-butyl 2-amino-6-(3-(pyrrolidine-1-carbonyl)piperidin-1-yl)pyridin-3-ylcarbamate (195 mg, 0.50 mmol) were dissolved in ethyl acetate (0.5 mL) with pyridine (0.20 mL, 2.5 mmol) at room temperature. The mixture was cooled to 0° C. 1-Propanephosphonic acid cyclic anhydride (0.375 mL, 50% solution in ethyl acetate, 1.25 mmol) was added while stirring at 0° C. The resulting mixture was stirred for 15 min, and then warmed to room temperature. After stirring for 1.5 h at room temperature, the mixture was quenched with an aqueous solution of hydrochloric acid (0.5 M, 1 mL). The mixture was partitioned between ethyl acetate (10 mL) and water (5 mL). The organic layer was washed sequentially with water (5 mL), a saturated aqueous solution of sodium bicarbonate (5 mL), and brine (5 mL). The organics were dried over magnesium sulfate, filtered, and concentrated. The residue was dried under reduced pressure to afford tert-butyl 2-((R)-2-(4-chloro-1H-pyrazol-1-yl)propanamido)-6-((R)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl)pyridin-3-ylcarbamate (268 mg, 98% yield). 1H NMR (500 MHz, CDCl3) δ 1.48 (s, 9H), 1.48-1.55 (m, 1H), 1.73-1.76 (m, 1H), 1.80-2.05 (m, 6H), 1.86 (d, 3H), 2.53-2.59 (m, 1H), 2.84-2.90 (m, 1H), 2.96-3.01 (m, 1H), 3.43-3.51 (m, 3H), 3.55-3.60 (m, 1H), 4.12 (br d, 1H), 4.33 (br d, 1H), 5.10 (br s, 1H), 6.56 (d, 1H), 7.30 (br s, 1H), 7.57 (s, 1H), 7.61 (s, 1H), 7.76 (br s, 1H), 8.58 (br s, 1H); MS (ES+) (M+H) 546.3; Chiral HPLC retention time 4.61 min (Method: Chiralpak AS-H 0.46×25 cm; Mobile Phase: CO2/methanol; Flow: 2.5 mL/min); 97.1% de.

후처리

  1. stirringThe resulting mixture was stirred for 15 min
  2. temperaturewarmed to room temperature
  3. stirringAfter stirring for 1.5 h at room temperature
  4. customthe mixture was quenched with an aqueous solution of hydrochloric acid (0.5 M, 1 mL)
  5. customThe mixture was partitioned between ethyl acetate (10 mL) and water (5 mL)
  6. washThe organic layer was washed sequentially with water (5 mL)
  7. dry with materialThe organics were dried over magnesium sulfate
  8. filtrationfiltered
  9. concentrationconcentrated
  10. customThe residue was dried under reduced pressure

출처 및 근거

ORD 기록
ord-0daa8f80620647bb9a5462824c963943
출처 데이터셋
uspto-grants-2016_03
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US09296745B2

반응 노트

불러오는 중…

이 페이지에서참가 물질반응 조건실험 절차후처리출처 및 근거반응 노트