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llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
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7-(2-{1-[2-(4-Cyanophenoxy)ethyl]-3,3-dimethylureido}ethyl)-9-oxa-3,7-diazabicyclo[3.3.1]nonane-3-carboxylic acid tert-butyl ester → 1-[2-(4-Cyanophenoxy)ethyl]-3,3-dimethyl-1-[2-(9-oxa-3,7-diazabicyclo[3.3.1]non-3-yl)ethyl]urea

HRID 899130
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HRID 899130 반응식
C(OC([N:8]1[CH2:15][CH:14]2[O:16][CH:10]([CH2:11][N:12]([CH2:17][CH2:18][N:19]([CH2:25][CH2:26][O:27][C:28]3[CH:33]=[CH:32][C:31]([C:34]#[N:35])=[CH:30][CH:29]=3)[C:20]([N:22]([CH3:24])[CH3:23])=[O:21])[CH2:13]2)[CH2:9]1)=O)(C)(C)C>Cl.O1CCOCC1>[C:34]([C:31]1[CH:30]=[CH:29][C:28]([O:27][CH2:26][CH2:25][N:19]([CH2:18][CH2:17][N:12]2[CH2:11][CH:10]3[O:16][CH:14]([CH2:15][NH:8][CH2:9]3)[CH2:13]2)[C:20]([N:22]([CH3:24])[CH3:23])=[O:21])=[CH:33][CH:32]=1)#[N:35]
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

4

반응물 1

HCID 690786487-(2-{1-[2-(4-Cyanophenoxy)ethyl]-3,3-dimethylureido}ethyl)-9-oxa-3,7-diazabicyclo[3.3.1]nonane-3-carboxylic acid tert-butyl ester

생성물 1

HCID 690769821-[2-(4-Cyanophenoxy)ethyl]-3,3-dimethyl-1-[2-(9-oxa-3,7-diazabicyclo[3.3.1]non-3-yl)ethyl]urea수율 25.2%

시약·촉매·용매 2

HCID 313Hydrochloric Acid용매HCID 312751,4-Dioxane용매

실험 절차

7-(2-{1-[2-(4-Cyanophenoxy)ethyl]-3,3-dimethylureido}ethyl)-9-oxa-3,7-di-azabicyclo[3.3.1]nonane-3-carboxylic acid tert-butyl ester (6.5 g; see Example 5 below) was taken in HCl in dioxane (50 mL) and stirred for 30 min. The reaction mixture was decanted and the solid was taken in a biphasic mixture of dichloromethane and aqueous NaHCO3. The organic layer was separated, washed with water, dried over sodium sulfate and concentrated. Purification by column chromatography yielded 1.3 g of the title compound as pale yellow solid.

후처리

  1. customThe reaction mixture was decanted
  2. additionthe solid was taken in a biphasic mixture of dichloromethane and aqueous NaHCO3
  3. customThe organic layer was separated
  4. washwashed with water
  5. dry with materialdried over sodium sulfate
  6. concentrationconcentrated
  7. customPurification by column chromatography

출처 및 근거

ORD 기록
ord-9a2b525acd2f400faf5a1c2152fe9405
출처 데이터셋
uspto-grants-2008_04
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US07354917B2

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