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Trifluoroacetic acid → 5-(2-benzyl-2H-indazol-6-yl)-7-(4-piperazin-1-ylphenyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine

HRID 1972769
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HRID 1972769 반응식
[NH2:1][C:2]1[C:7]2=[C:8]([C:30]3[CH:31]=[CH:32][C:33]4[C:37]([CH:38]=3)=[N:36][N:35]([CH2:39][C:40]3[CH:45]=[CH:44][CH:43]=[CH:42][CH:41]=3)[CH:34]=4)[CH:9]=[C:10]([C:11]3[CH:16]=[CH:15][C:14]([N:17]4[CH2:22][CH2:21][N:20](C(OC(C)(C)C)=O)[CH2:19][CH2:18]4)=[CH:13][CH:12]=3)[N:6]2[N:5]=[CH:4][N:3]=1.FC(F)(F)C(O)=O>ClCCl>[CH2:39]([N:35]1[CH:34]=[C:33]2[C:37]([CH:38]=[C:30]([C:8]3[CH:9]=[C:10]([C:11]4[CH:16]=[CH:15][C:14]([N:17]5[CH2:22][CH2:21][NH:20][CH2:19][CH2:18]5)=[CH:13][CH:12]=4)[N:6]4[C:7]=3[C:2]([NH2:1])=[N:3][CH:4]=[N:5]4)[CH:31]=[CH:32]2)=[N:36]1)[C:40]1[CH:45]=[CH:44][CH:43]=[CH:42][CH:41]=1
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참가 물질

4

반응물 2

HCID 6422Trifluoroacetic acidHCID 58529864tert-butyl 4-{4-[4-amino-5-(2-benzyl-2H-indazol-6-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]phenyl}piperazine-1-carboxylate

생성물 1

HCID 585294985-(2-benzyl-2H-indazol-6-yl)-7-(4-piperazin-1-ylphenyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine수율 96%

시약·촉매·용매 1

HCID 6344Dichloromethane용매

실험 절차

To a suspension of tert-butyl 4-{4-[4-amino-5-(2-benzyl-2H-indazol-6-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]phenyl}piperazine-1-carboxylate (610 mg, 1.02 mmol) in dichloromethane (6 mL) was added trifluoroacetic acid (2 mL). The reaction was stirred (rt) for 17 h. The mixture was evaporated to dryness and saturated aqueous NaHCO3 was added to the residue. The resulting solid was collected by filtration and was dried in vacuo to afford 489 mg (96%) of the desired product. 1H NMR (300 MHz, DMSO-d6) δ 8.54 (s, 1 H), 7.99-7.91 (m, 3 H), 7.81 (d, 1 H), 7.65 (s, 1 H), 7.41-7.25 (m, 5 H), 7.19 (d, 1 H), 7.06-6.96 (m, 3 H), 5.65 (s, 2 H), 3.14 (s, 4 H), 2.89 (s, 4 H); ES-MS m/z 501.4 HPLC RT (min) 2.25.

후처리

  1. customThe mixture was evaporated to dryness and saturated aqueous NaHCO3
  2. additionwas added to the residue
  3. filtrationThe resulting solid was collected by filtration
  4. customwas dried in vacuo

출처 및 근거

ORD 기록
ord-7e86c2d509214ca194d8af23cb44173a
출처 데이터셋
uspto-grants-2013_04
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08431695B2

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