Methylamine → Regadenoson

HRID 350595

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HRID 350595 반응식
C([O:3][C:4]([C:6]1[CH:7]=[N:8][N:9]([C:11]2[N:19]=[C:18]3[C:14]([N:15]=[CH:16][N:17]3[C@H:20]3[C@H:24]([OH:25])[C@H:23]([OH:26])[C@@H:22]([CH2:27][OH:28])[O:21]3)=[C:13]([NH2:29])[N:12]=2)[CH:10]=1)=O)C.[CH3:30][NH2:31]>>[OH:25][C@@H:24]1[C@H:23]([OH:26])[C@@H:22]([CH2:27][OH:28])[O:21][C@H:20]1[N:17]1[CH:16]=[N:15][C:14]2[C:18]1=[N:19][C:11]([N:9]1[CH:10]=[C:6]([C:4]([NH:31][CH3:30])=[O:3])[CH:7]=[N:8]1)=[N:12][C:13]=2[NH2:29]

참가 물질

3

반응물 2

HCID 6329MethylamineHCID 9865974Ethyl 1-(6-amino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-9H-purin-2-yl)-1H-pyrazole-4-carboxylate

생성물 1

HCID 219024Regadenoson

반응 조건

온도
65 °C

실험 절차

Compound 12 (0.05 mg, 0.12 mmol) was added to 4 mL methylamine (40% sol. In water). The mixture heated at 65° C. in for 24 h. After concentration in vacuo, the residue was purified using prep. TLC (10% MeOH:DCM). 1HNMR (CD3OD) δ2.90 (s, 3 H), 3.78 (m, 1 H), 3.91 (m, 1 H), 4.13 (d, 1 H), 4.34 (d, 1 H), 4.64 (m, 1 H), 6.06 (d, 1 H), 8.11 (s, 1 H), 8.38 (s, 1 H), 9.05 (s, 1 H).

후처리

  1. concentrationAfter concentration in vacuo
  2. customthe residue was purified

출처 및 근거

ORD 기록
ord-ff7ae4e9ec2e435b8734ec1cc231b040
출처 데이터셋
uspto-grants-2007_02
특허 번호
US07183264B2

연결된 노트

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