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llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
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Ammonium formate → (1R,2S,3R,5S)-3-[6-(2,2-Diphenyl-ethylamino)-2-(piperidin 4-ylamino)-purin-9-yl]-5-(4-hydroxymethyl-pyrazol-1-yl)-cyclopentane-1,2-diol trifluoroacetate

HRID 1641926
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HRID 1641926 반응식
[F:1][C:2]([F:7])([F:6])[C:3]([OH:5])=[O:4].C([N:15]1[CH2:20][CH2:19][CH:18]([NH:21][C:22]2[N:30]=[C:29]3[C:25]([N:26]=[CH:27][N:28]3[C@@H:31]3[CH2:35][C@H:34]([N:36]4[CH:40]=[C:39]([CH2:41][OH:42])[CH:38]=[N:37]4)[C@@H:33]([OH:43])[C@H:32]3[OH:44])=[C:24]([NH:45][CH2:46][CH:47]([C:54]3[CH:59]=[CH:58][CH:57]=[CH:56][CH:55]=3)[C:48]3[CH:53]=[CH:52][CH:51]=[CH:50][CH:49]=3)[N:23]=2)[CH2:17][CH2:16]1)C1C=CC=CC=1.C([O-])=O.[NH4+]>C(O)C.[OH-].[Pd+2].[OH-]>[F:1][C:2]([F:7])([F:6])[C:3]([OH:5])=[O:4].[C:54]1([CH:47]([C:48]2[CH:49]=[CH:50][CH:51]=[CH:52][CH:53]=2)[CH2:46][NH:45][C:24]2[N:23]=[C:22]([NH:21][CH:18]3[CH2:17][CH2:16][NH:15][CH2:20][CH2:19]3)[N:30]=[C:29]3[C:25]=2[N:26]=[CH:27][N:28]3[C@@H:31]2[CH2:35][C@H:34]([N:36]3[CH:40]=[C:39]([CH2:41][OH:42])[CH:38]=[N:37]3)[C@@H:33]([OH:43])[C@H:32]2[OH:44])[CH:59]=[CH:58][CH:57]=[CH:56][CH:55]=1
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참가 물질

5

반응물 2

HCID 2723923Ammonium formateHCID 66737589(1R,2S,3R,5S)-3-[2-(1-Benzyl-piperidin-4-ylamino)-6-(2,2-diphenyl-ethylamino)-purin-9-yl]-5-(4-hydroxymethyl-pyrazol-1-yl)-cyclopentane-1,2-diol trifluoroacetate

생성물 1

HCID 66736211(1R,2S,3R,5S)-3-[6-(2,2-Diphenyl-ethylamino)-2-(piperidin 4-ylamino)-purin-9-yl]-5-(4-hydroxymethyl-pyrazol-1-yl)-cyclopentane-1,2-diol trifluoroacetate

시약·촉매·용매 2

HCID 9942167
Palladium hydroxide
촉매
HCID 702Ethanol용매

실험 절차

(1R,2S,3R,1S)-3-[2-(1-benzyl-piperidin-4-ylamino)-6-(2,2-diphenyl-ethylamino)-purin-9-yl]-5-(4-hydroxymethyl-pyrazol-1-yl)-cyclopentane-1,2-diol trifluoroacetate (Example 78) (50 mg, 0.063 mmol) is dissolved in ethanol (2 ml). Palladium hydroxide (20% on carbon) (45 mg, 0.57 mmol) and ammonium formate (20 mg, 0.057 mmol) are added and the reaction mixture is refluxed for 1.5 hours. The reaction mixture is allowed to cool, the catalyst is filtered off and the solvent is removed in vacuo. The title compound is obtained after purification by reverse phase column chromatography (Isolute™ C18, 0-100% MeCN in water—0.1% TFA). MS (ES+) m/e 610 (MH+).

후처리

  1. temperaturethe reaction mixture is refluxed for 1.5 hours
  2. temperatureto cool
  3. filtrationthe catalyst is filtered off
  4. customthe solvent is removed in vacuo

출처 및 근거

ORD 기록
ord-da2095c5bb8e474a88bc01ad4ea4dd59
출처 데이터셋
uspto-grants-2012_02
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08114877B2

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