Methanaminium, N-((1H-benzotriazol-1-yloxy)(dimethylamino)methylene)-N-methyl-, hexafluorophosphate(1-) (1:1) → HCID 22291701, 화합물

HRID 457324노트

반응식

HRID 457324 반응식
[Cl:1][C:2]1[C:3]([C:14]([OH:16])=O)=[N:4][C:5]([N:8]2[CH2:13][CH2:12][O:11][CH2:10][CH2:9]2)=[CH:6][CH:7]=1.[NH2:17][C:18]1[CH:40]=[CH:39][C:21]2[CH2:22][CH2:23][C:24]3[C:25]([C:36]([NH2:38])=[O:37])=[N:26][N:27]([C:29]4[CH:34]=[CH:33][C:32]([F:35])=[CH:31][CH:30]=4)[C:28]=3[C:20]=2[CH:19]=1.CN(C(ON1N=NC2C=CC=NC1=2)=[N+](C)C)C.F[P-](F)(F)(F)(F)F.CN(C(ON1N=NC2C=CC=CC1=2)=[N+](C)C)C.F[P-](F)(F)(F)(F)F>>[Cl:1][C:2]1[C:3]([C:14]([NH:17][C:18]2[CH:40]=[CH:39][C:21]3[CH2:22][CH2:23][C:24]4[C:25]([C:36]([NH2:38])=[O:37])=[N:26][N:27]([C:29]5[CH:30]=[CH:31][C:32]([F:35])=[CH:33][CH:34]=5)[C:28]=4[C:20]=3[CH:19]=2)=[O:16])=[N:4][C:5]([N:8]2[CH2:9][CH2:10][O:11][CH2:12][CH2:13]2)=[CH:6][CH:7]=1

참가 물질

5

반응물 4

HCID 2733084Methanaminium, N-((1H-benzotriazol-1-yloxy)(dimethylamino)methylene)-N-methyl-, hexafluorophosphate(1-) (1:1)HCID 9886157Methanaminium, N-((dimethylamino)(3H-1,2,3-triazolo(4,5-b)pyridin-3-yloxy)methylene)-N-methyl-, hexafluorophosphate(1-) (1:1)HCID 22291910HCID 22291910, 화합물HCID 28491368HCID 28491368, 화합물

생성물 1

HCID 22291701HCID 22291701, 화합물

실험 절차

The title compound was synthesized from 0.294 g of 3-chloro-6-morpholinyl-2-pyridine carboxylic acid (from step 1) and (0.258 g) of the title compound of example 244 by the same procedure used for Example 211 except that HATU was replaced by HBTU (BF4). The title compound is a brown solid (0.37 g, 84%), m.p. 252–254° C. Its structure was confirmed by 1H NMR and LC/MS: 1H NMR (CDCl3): δ 2.95 (m, 2H), 3.12 (m, 2H), 3.48 (m, 4H), 3.88 (m, 4H), 5.39 (s, 1H), 6.65–6.82 (m, 3H), 7.16 7.18–7.23 (m, 3H), 7.43–756 (m, 3H), 7.62 (m, 1H), 9.18 (s, 1H). ESI mass spectrum for C28H25ClFN6O3+: 547 (M+1).

출처 및 근거

ORD 기록
ord-6fae99c20aac452081c546bd9270fe28
출처 데이터셋
uspto-grants-2007_03
특허 번호
US07186743B2

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