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Acetic Acid → HCID 178420111、化合物

HRID 1674676
ノート
印刷プレビュー

反応式

HRID 1674676 の反応式
[C:1]1([C:7]2[C:8]([C:19]3[CH:26]=[CH:25][C:22]([CH:23]=O)=[CH:21][CH:20]=3)=[N:9][C:10]([C:13]3[CH:18]=[CH:17][CH:16]=[CH:15][N:14]=3)=[N:11][CH:12]=2)[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.C(O[BH-](OC(=O)C)OC(=O)C)(=O)C.[Na+].Cl.[NH:42]1[CH2:47][CH2:46][CH:45]([C:48]2[N:52]=[C:51]([C:53]3[CH:58]=[CH:57][CH:56]=[CH:55][N:54]=3)[NH:50][N:49]=2)[CH2:44][CH2:43]1.C(N(CC)CC)C.C(O)(=O)C>CN(C=O)C>[C:1]1([C:7]2[C:8]([C:19]3[CH:26]=[CH:25][C:22]([CH2:23][N:42]4[CH2:47][CH2:46][CH:45]([C:48]5[N:52]=[C:51]([C:53]6[CH:58]=[CH:57][CH:56]=[CH:55][N:54]=6)[NH:50][N:49]=5)[CH2:44][CH2:43]4)=[CH:21][CH:20]=3)=[N:9][C:10]([C:13]3[CH:18]=[CH:17][CH:16]=[CH:15][N:14]=3)=[N:11][CH:12]=2)[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1
参加物実験手順後処理出典と根拠反応ノート

参加物

7

反応物 5

HCID 176Acetic AcidHCID 8471TriethylamineHCID 5049666Sodium triacetoxyborohydrideHCID 591643624-(5-Phenyl-2-pyridin-2-ylpyrimidin-4-yl)benzaldehydeHCID 178477979HCID 178477979、化合物

生成物 1

HCID 178420111HCID 178420111、化合物

試薬・触媒・溶媒 1

HCID 6228Dimethylformamide溶媒

実験手順

4-(5-Phenyl-2-pyridin-2-ylpyrimidin-4-yl)benzaldehyde (4-3; 0.011 g, 0.033 mmol), sodium triacetoxyborohydride (0.010 g, 0.049 mmol) and 2-(3-piperidin-4-yl-1H-1,2,4-triazol-5-yl)pyridine hydrochloride (0.022 g, 0.082 mmol) were stirred in 0.5 ml of anhydrous DMF. Triethylamine (0.014 ml, 0.098 mmol) and acetic acid (0.007 ml, 0.13 mmol) were added and the reaction was stirred at ambient temperature for 6 h. The reaction was quenched by the addition of 3 drops of water and the resulting solution was purified by reverse phase preparative chromatography. This afforded 5-phenyl-2-pyridin-2-yl-4-(4-{[4-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl}phenyl)pyrimidine (4-4) as a trifluoroacetic acid salt. 1H NMR (CDCl3): δ 9.12 (s, 1H), 9.09 (d, 1H), 8.94 (d, 1H), 8.72 (d, 2H), 8.20 (m, 1H), 8.15 (m, 2H), 7.98 (s, 1H), 7.75 (d, 2H), 7.58 (m, 3H), 7.43 (m, 2H), 7.36 (m, 2H), 4.40 (s, 2H), 3.62 (m, 2H), 3.25 (m, 2H), 2.42 (m, 2H), 2.12 (m, 2H). m/z (m+1): 551.2

後処理

  1. customThe reaction was quenched by the addition of 3 drops of water
  2. customthe resulting solution was purified by reverse phase preparative chromatography

出典と根拠

ORDレコード
ord-63be0061d0de4e5f92e5386509ee9091
出典データセット
uspto-grants-2011_08
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US08003643B2

反応ノート

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