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

Hydrochloric Acid → 1-[5-(Undecylamino)hexyl]-3,7-dimethylxanthine

HRID 398797
노트
인쇄 미리보기

반응식

HRID 398797 반응식
C([BH3-])#N.[Na+].O=[CH:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][N:12]1[C:21](=[O:22])[C:20]2[N:19]([CH3:23])[CH:18]=[N:17][C:16]=2[N:15]([CH3:24])[C:13]1=[O:14].[CH2:25]([NH2:36])[CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH3:35].Cl.[Cl-].[NH4+].[OH-].[NH4+]>O1CCCC1.CO>[CH2:25]([NH:36][CH:7]([CH3:6])[CH2:8][CH2:9][CH2:10][CH2:11][N:12]1[C:21](=[O:22])[C:20]2[N:19]([CH3:23])[CH:18]=[N:17][C:16]=2[N:15]([CH3:24])[C:13]1=[O:14])[CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH3:35]
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

9

반응물 6

HCID 313Hydrochloric AcidHCID 14923Ammonium HydroxideHCID 25517Ammonium ChlorideHCID 81742UndecylamineHCID 5003444Sodium cyanoborohydrideHCID 186910651-(6-Oxohexyl)-3,7-dimethylxanthine

생성물 1

HCID 53880790
1-[5-(Undecylamino)hexyl]-3,7-dimethylxanthine
수율 87.6%

시약·촉매·용매 2

HCID 887Methanol용매HCID 8028Tetrahydrofuran용매

실험 절차

Sodium cyanoborohydride (63 mg, 1.0 mmol) was added to a mixture of 1-(6-oxohexyl)-3,7-dimethylxanthine (150 mg, 0.5 mmol), undecylamine (0.43 mL, 2.5 mmol), 38% aqueous hydrochloric acid solution (0.2 mL, 2.5 mmol), methanol (5 mL), and tetrahydrofuran (5 mL). The resulting mixture was stirred for 48 hours. Saturated aqueous ammonium chloride solution (20 mL) was added to the stirred mixture, followed by an additional 20 minutes of stirring and addition of 30% aqueous ammonium hydroxide solution (30 mL). The mixture was extracted with 25% methanol-dichloromethane (3×35 mL) and the combined extracts dried over sodium sulfate. The solvents were evaporated under vacuum, resulting in 190 mg of 1-[5-(Undecylamino)hexyl]-3,7-dimethylxanthine (86% yield).

후처리

  1. waitfollowed by an additional 20 minutes
  2. stirringof stirring
  3. extractionThe mixture was extracted with 25% methanol-dichloromethane (3×35 mL)
  4. dry with materialthe combined extracts dried over sodium sulfate
  5. customThe solvents were evaporated under vacuum

출처 및 근거

ORD 기록
ord-3fe3d023f4404ad58c652c80913c005e
출처 데이터셋
uspto-grants-1998_10
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US05817662

반응 노트

불러오는 중…

이 페이지에서참가 물질실험 절차후처리출처 및 근거반응 노트