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llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
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2-[1-(2-Fluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-6-iodo-7-methyl-7,9-dihydro-8H-purin-8-one → 2-[1-(2-Fluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-7-methyl-8-oxo-8,9-dihydro-7H-purine-6-carbonitrile

HRID 510116
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HRID 510116 반응식
[F:1][C:2]1[CH:29]=[CH:28][CH:27]=[CH:26][C:3]=1[CH2:4][N:5]1[C:9]2=[N:10][CH:11]=[CH:12][CH:13]=[C:8]2[C:7]([C:14]2[N:22]=[C:21]3[C:17]([N:18]([CH3:24])[C:19](=[O:23])[NH:20]3)=[C:16](I)[N:15]=2)=[N:6]1.[Cu][C:31]#[N:32]>N1C=CC=CC=1>[F:1][C:2]1[CH:29]=[CH:28][CH:27]=[CH:26][C:3]=1[CH2:4][N:5]1[C:9]2=[N:10][CH:11]=[CH:12][CH:13]=[C:8]2[C:7]([C:14]2[N:22]=[C:21]3[C:17]([N:18]([CH3:24])[C:19](=[O:23])[NH:20]3)=[C:16]([C:31]#[N:32])[N:15]=2)=[N:6]1
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참가 물질

4

반응물 2

HCID 867200522-[1-(2-Fluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-6-iodo-7-methyl-7,9-dihydro-8H-purin-8-oneHCID 178418546HCID 178418546, 화합물

생성물 1

HCID 569289472-[1-(2-Fluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-7-methyl-8-oxo-8,9-dihydro-7H-purine-6-carbonitrile수율 19.4%

시약·촉매·용매 1

HCID 1049Pyridine용매

실험 절차

200 mg (0.399 mmol) of the compound obtained in example 107 in pyridine (3 ml) were admixed with 37 mg (0.419 mmol) of copper(I) cyanide and heated to reflux overnight. After cooling, the reaction mixture was filtered and concentrated, and the residue was purified by means of preparative HPLC (acetonitrile:water (+0.05% formic acid) gradient). 31 mg of the title compound were obtained (18% of theory).

후처리

  1. temperatureheated
  2. temperatureto reflux overnight
  3. temperatureAfter cooling
  4. filtrationthe reaction mixture was filtered
  5. concentrationconcentrated
  6. customthe residue was purified by means of preparative HPLC (acetonitrile:water (+0.05% formic acid) gradient)

출처 및 근거

ORD 기록
ord-55e04695b06448b488c25828f6df0ad3
출처 데이터셋
uspto-grants-2015_08
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US09096592B2

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