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4-Methyl-2-Pentanol → 4-[(4,4-diethyl-6-methyl-5-oxo-2-propan-2-yl-2,6,9,11-tetrazabicyclo[5.4.0]undeca-7,9,11-trien-10-yl)amino]-3-methoxy-N-(1-methyl-4-piperidyl)benzamide

HRID 2234306
ノート
印刷プレビュー

反応式

HRID 2234306 の反応式
Cl[C:2]1[N:12]=[C:11]2[C:5]([N:6]([CH3:21])[C:7](=[O:20])[C:8]([CH2:18][CH3:19])([CH2:16][CH3:17])[CH2:9][N:10]2[CH:13]([CH3:15])[CH3:14])=[CH:4][N:3]=1.O.C1(C)C=CC(S(O)(=O)=O)=CC=1.[NH2:34][C:35]1[CH:50]=[CH:49][C:38]([C:39]([NH:41][CH:42]2[CH2:47][CH2:46][N:45]([CH3:48])[CH2:44][CH2:43]2)=[O:40])=[CH:37][C:36]=1[O:51][CH3:52].CC(C)CC(O)C>CO>[CH2:16]([C:8]1([CH2:18][CH3:19])[C:7](=[O:20])[N:6]([CH3:21])[C:5]2[C:11](=[N:12][C:2]([NH:34][C:35]3[CH:50]=[CH:49][C:38]([C:39]([NH:41][CH:42]4[CH2:43][CH2:44][N:45]([CH3:48])[CH2:46][CH2:47]4)=[O:40])=[CH:37][C:36]=3[O:51][CH3:52])=[N:3][CH:4]=2)[N:10]([CH:13]([CH3:15])[CH3:14])[CH2:9]1)[CH3:17]
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

6

反応物 4

HCID 79104-Methyl-2-PentanolHCID 521998p-Toluenesulfonic acid monohydrateHCID 115290634-Amino-3-methoxy-n-(1-methylpiperidin-4-yl)benzamideHCID 8661755810-Chloro-4,4-diethyl-6-methyl-2-propan-2-yl-2,6,9,11-tetrazabicyclo[5.4.0]undeca-7,9,11-trien-5-one2 回

生成物 1

HCID 68682760
4-[(4,4-diethyl-6-methyl-5-oxo-2-propan-2-yl-2,6,9,11-tetrazabicyclo[5.4.0]undeca-7,9,11-trien-10-yl)amino]-3-methoxy-N-(1-methyl-4-piperidyl)benzamide

試薬・触媒・溶媒 1

HCID 887Methanol溶媒

反応条件

温度
120 °C

実験手順

10-chloro-4,4-diethyl-6-methyl-2-propan-2-yl-2,6,9,11-tetrazabicyclo[5.4.0]undeca-7,9,11-trien-5-one (Intermediate 198; 100 mg, 0.322 mmol), p-toluene sulphonic acid monohydrate (153 mg, 0.81 mmol) and 4-amino-3-methoxy-N-(1-methyl-4-piperidyl)benzamide (WO06/018220; 84 mg, 0.322 mmol) were added to 4-methyl-2-pentanol (7 mL). The reaction was heated at 120° C. over the weekend. The reaction mixture was loaded on to an SCX column (10 g), pre-wet with methanol, washed with methanol and eluted with ammonia in methanol. Product containing fractions were combined and evaporated and the resultant material purified by base modified reverse phase preparative HPLC to yield the title compound, after drying under vacuum at 70° C., as a white solid (97 mg, 56%)

後処理

  1. washwashed with methanol
  2. washeluted with ammonia in methanol
  3. additionProduct containing fractions
  4. customevaporated
  5. customthe resultant material purified by base modified reverse phase preparative HPLC

出典と根拠

ORDレコード
ord-8471339384ce47ac88f209208848fcbe
出典データセット
uspto-grants-2010_05
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US07709471B2

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