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

HRID 457324ノート

反応式

HRID 457324 の反応式
[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

参加物

5

反応物 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、化合物HCID 28491368HCID 28491368、化合物

生成物 1

HCID 22291701HCID 22291701、化合物

実験手順

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).

出典と根拠

ORDレコード
ord-6fae99c20aac452081c546bd9270fe28
出典データセット
uspto-grants-2007_03
特許番号
US07186743B2

反応ノート

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