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Sodium Hydroxide → HCID 57731467, 화합물

HRID 2234693
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HRID 2234693 반응식
F[P-](F)(F)(F)(F)F.N1(OC(N(C)C)=[N+](C)C)C2[N:13]=[CH:14][CH:15]=[CH:16][C:11]=2N=N1.[CH3:25][O:26][C:27]([NH:29][C:30]1[CH:38]=[CH:37][C:36]([C:39]2[CH:40]=[C:41]3[C:47]([C:48]4[CH:53]=[CH:52][CH:51]=[CH:50][C:49]=4[O:54][CH3:55])=[CH:46][N:45](S(C4C=CC(C)=CC=4)(=O)=O)[C:42]3=[N:43][CH:44]=2)=[CH:35][C:31]=1[C:32]([OH:34])=O)=[O:28].N1CCCC1.C(N(C(C)C)CC)(C)C.[OH-].[Na+]>CN(C)C=O.C(O)(=O)C.CO>[CH3:25][O:26][C:27](=[O:28])[NH:29][C:30]1[CH:38]=[CH:37][C:36]([C:39]2[CH:40]=[C:41]3[C:47]([C:48]4[CH:53]=[CH:52][CH:51]=[CH:50][C:49]=4[O:54][CH3:55])=[CH:46][NH:45][C:42]3=[N:43][CH:44]=2)=[CH:35][C:31]=1[C:32]([N:13]1[CH2:14][CH2:15][CH2:16][CH2:11]1)=[O:34]
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

9

반응물 5

HCID 14798Sodium HydroxideHCID 31268PyrrolidineHCID 81531DiisopropylethylamineHCID 9886157Methanaminium, N-((dimethylamino)(3H-1,2,3-triazolo(4,5-b)pyridin-3-yloxy)methylene)-N-methyl-, hexafluorophosphate(1-) (1:1)HCID 57731438HCID 57731438, 화합물

생성물 1

HCID 57731467
HCID 57731467, 화합물
수율 36%

시약·촉매·용매 3

HCID 176Acetic Acid용매HCID 887Methanol용매HCID 6228Dimethylformamide용매

실험 절차

O-(7-Azabenzotriazol-1-yl)-N,N,N′,N′-tetramethyluronium hexafluorophosphate (49.9 mg, 0.13 mmol) was added to a solution of 2-methoxycarbonylamino-5-[3-(2-methoxy-phenyl)-1-(toluene-4-sulfonyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-benzoic acid (75 mg, 0.13 mmol), pyrrolidine (9.33, 0.13 mmol) and di-iso-propyl ethyl amine (51 mg, 0.39 mmol) in N,N-Dimethylformamide (1 ml). The reaction was stirred at room temperature for 1 hour, then methanol (2 ml) was added followed by aqueous sodium hydroxide (0.2 ml) and the reaction was stirred at room temperature for 16 hours. This solution was then neutralized with acetic acid and the compound was purified by preparative mass-triggered reverse-phase HPLC chromatography to give [4-[3-(2-methoxy-phenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-(pyrrolidine-1-carbonyl)-phenyl]-carbamic acid methyl ester as a white solid.). 1H NMR (500 MHz, DMSO-d6) δ 1.81 (p, J=6 Hz 1H); 1.87 (p, J=6 Hz 1H); 3.41 (t, J=6 Hz 1H); 3.48 (t, J=6 Hz 1H); 3.65 (s, 3H); 3.81 (s, 3H); 7.04 (t, J=8 Hz 1H) 7.13 (d, J=8 Hz 1H); 7.29 (t, J=8 Hz, 1H); 7.60 (d, J=8 Hz 1H); 7.75 (m, 4H); 8.17 (s, 1H); 8.55 (s, 1H); 9.23 (s, br, 1H); 11.95 (s, br, 1H) (21.8 mg, 36% yield MS: m/z 471.5 (M+H+).

후처리

  1. stirringthe reaction was stirred at room temperature for 16 hours
  2. customthe compound was purified by preparative mass-triggered reverse-phase HPLC chromatography

출처 및 근거

ORD 기록
ord-e2802e9f5486400ab2f53459286a8507
출처 데이터셋
uspto-grants-2010_05
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US07709645B2

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