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Diisopropylethylamine → HCID 86643332, 화합물

HRID 1948289
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HRID 1948289 반응식
[Cl:1][C:2]1[C:6]([Cl:7])=[C:5]([CH3:8])[NH:4][C:3]=1[C:9]([NH:11][C@H:12]1[CH2:17][CH2:16][N:15]([C:18]2[S:19][C:20]([C:23](O)=[O:24])=[CH:21][N:22]=2)[CH2:14][C@H:13]1[O:26][CH3:27])=[O:10].CN([C:31]([O:35][N:36]1N=NC2C=CC=NC1=2)=[N+](C)C)C.F[P-](F)(F)(F)(F)F.C1C=NC2N(O)N=NC=2C=1.CCN(C(C)C)C(C)C.Cl.CON>CC(N(C)C)=O.CCOC(C)=O>[Cl:1][C:2]1[C:6]([Cl:7])=[C:5]([CH3:8])[NH:4][C:3]=1[C:9]([NH:11][C@H:12]1[CH2:17][CH2:16][N:15]([C:18]2[S:19][C:20]([C:23]([NH:36][O:35][CH3:31])=[O:24])=[CH:21][N:22]=2)[CH2:14][C@H:13]1[O:26][CH3:27])=[O:10]
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

8

반응물 5

HCID 81531Diisopropylethylamine2회HCID 181649HOAtHCID 521874O-Methylhydroxylamine hydrochlorideHCID 9886157Methanaminium, N-((dimethylamino)(3H-1,2,3-triazolo(4,5-b)pyridin-3-yloxy)methylene)-N-methyl-, hexafluorophosphate(1-) (1:1)HCID 86643333HCID 86643333, 화합물

생성물 1

HCID 86643332
HCID 86643332, 화합물
수율 76.8%

시약·촉매·용매 2

HCID 8857Ethyl Acetate용매HCID 31374Dimethylacetamide용매

실험 절차

Cis(±)2-(4-{[(3,4-dichloro-5-methyl-1H-pyrrol-2 -yl)carbonyl]amino}-3-methoxypiperidin-1-yl)-1,3-thiazole-5-carboxylic acid (Example 35; 100 mg) was dissolved in anhydrous DMA (2 ml). HATU (97 mg), HOAT (31 mg), DIEA (41 μl) were added and the mixture was stirred for 30 min. N-Methoxyamine hydrochloride (19.3 mg) was added followed by DIEA (41 μl), and the mixture was stirred at room temperature for 16 h. The reaction mixture was diluted with EtOAc, washed with H2O, 20% citric acid solution, H2O, sat. NaHCO3, H2O, brine and dried over Na2SO4. The organic phase was concentrated in vacuo to give the title compound as an off-white solid (82 mg). MS (ES)(MH+): 462, 460 for C17H21Cl2N5O4S; NMR: 1.64 (m, 2H), 1.85 (m, 1H), 2.05 (s, 3H), 2.83 (m, 1H), 3.33 (m, 5H), 3.73 (s, 3H), 4.07 (m, 1H), 4.38 (m, 2H), 7.24 (d, 1H), 7.74 (s, 1H), 11.39 (s, 1H), 12.05 (s, 1H).

후처리

  1. stirringthe mixture was stirred at room temperature for 16 h
  2. washwashed with H2O, 20% citric acid solution, H2O, sat. NaHCO3, H2O, brine
  3. dry with materialdried over Na2SO4
  4. concentrationThe organic phase was concentrated in vacuo

출처 및 근거

ORD 기록
ord-c39450f364ba4e2f8df44d24f0ce79a5
출처 데이터셋
uspto-grants-2013_03
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08399489B2

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