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1-Hydroxybenzotriazole → HCID 178488299、化合物

HRID 1178153
ノート
印刷プレビュー

反応式

HRID 1178153 の反応式
C1C=CC2N(O)N=NC=2C=1.CCN(C(C)C)C(C)C.Cl.[C:21]1([C:27]2[NH:31][N:30]=[C:29]([C:32]([OH:34])=O)[CH:28]=2)[CH:26]=[CH:25][CH:24]=[CH:23][CH:22]=1.CCN=C=NCCCN(C)C.Cl.Cl.[NH2:48][CH2:49][C:50]([N:52]1[CH2:57][CH2:56][N:55]([C:58](=[O:68])[C:59]2[CH:64]=[C:63]([O:65][CH3:66])[CH:62]=[CH:61][C:60]=2[Br:67])[CH2:54][CH2:53]1)=[O:51]>CN(C=O)C.O>[Br:67][C:60]1[CH:61]=[CH:62][C:63]([O:65][CH3:66])=[CH:64][C:59]=1[C:58]([N:55]1[CH2:54][CH2:53][N:52]([C:50](=[O:51])[CH2:49][NH:48][C:32]([C:29]2[CH:28]=[C:27]([C:21]3[CH:22]=[CH:23][CH:24]=[CH:25][CH:26]=3)[NH:31][N:30]=2)=[O:34])[CH2:57][CH2:56]1)=[O:68]
参加物反応条件実験手順後処理出典と根拠反応ノート

参加物

8

反応物 5

HCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 27239391,3-Propanediamine, N'-(ethylcarbonimidoyl)-N,N-dimethyl-, monohydrochlorideHCID 669531722-Amino-1-[4-(2-bromo-5-methoxy-benzoyl)-piperazin-1-yl]-ethanone hydrochlorideHCID 178479739HCID 178479739、化合物

生成物 1

HCID 178488299
HCID 178488299、化合物
収率 59%

試薬・触媒・溶媒 2

HCID 962Water溶媒HCID 6228Dimethylformamide溶媒

反応条件

温度
10 °C

実験手順

HOBt (22 mg, 0.16 mmol) and DIPEA (66 mg, 0.51 mmol) were added to a stirred solution of 5-phenyl-1H-pyrazole-3-carboxylic acid hydrochloride (29 mg, 0.13 mmol) in DMF (1.0 mL). The mixture was then cooled to 10° C. and EDCI.HCl (30.5 mg, 0.16 mmol) followed by 2-amino-1-[4-(2-bromo-5-methoxy-benzoyl)-piperazin-1-yl]-ethanone hydrochloride (50 mg, 0.13 mmol) were added. The reaction mixture was then stirred at room temperature overnight. Water was added, and the resulting precipitate was isolated by filtration. The crude product was washed with hexane and diethyl ether to afford 5-phenyl-1H-pyrazole-3-carboxylic acid {2-[4-(2-bromo-5-methoxy-benzoyl)-piperazin-1-yl]-2-oxo-ethyl}-amide as a solid in 59% yield. LC-MS purity: 89.83%, 1H-NMR (DMSO): δ 8.62 (s, 1H), 8.08 (t, 1H), 7.8 (d, 2H), 7.58 (m, 1H), 7.5 (m, 2H), 7.4 (m, 1H), 7.1 (s, 1H), 7.0 (m, 2H), 4.2 (m, 2H), 3.8 (s, 3H), 3.75 (m, 2H), 3.6 (m, 2H), 3.55 (m, 2H), 3.2 (m, 2H).

後処理

  1. additionwere added
  2. customthe resulting precipitate was isolated by filtration
  3. washThe crude product was washed with hexane and diethyl ether

出典と根拠

ORDレコード
ord-8e9317010fda476faec5978f513c661d
出典データセット
uspto-grants-2010_11
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US07842696B2

反応ノート

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このページの内容参加物反応条件実験手順後処理出典と根拠反応ノート