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Acetic Acid → 1-[3-((3S,4S)-3-hydroxy-4-methyl-piperidin-1-yl)-propyl]-3-methyl-piperazin-2-one dihydrochloride

HRID 559364
ノート
印刷プレビュー

反応式

HRID 559364 の反応式
[ClH:1].[CH3:2][C@H:3]1[CH2:8][CH2:7][NH:6][CH2:5][C@H:4]1[OH:9].C(N(CC)CC)C.C(O)(=O)C.C(OC([N:28]1[CH2:33][CH2:32][N:31]([CH2:34][CH2:35][CH:36]=O)[C:30](=[O:38])[CH:29]1[CH3:39])=O)(C)(C)C.C(O[BH-](OC(=O)C)OC(=O)C)(=O)C.[Na+]>ClCCl>[ClH:1].[ClH:1].[OH:9][C@H:4]1[C@@H:3]([CH3:2])[CH2:8][CH2:7][N:6]([CH2:36][CH2:35][CH2:34][N:31]2[CH2:32][CH2:33][NH:28][CH:29]([CH3:39])[C:30]2=[O:38])[CH2:5]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 66998978cis-3-Hydroxy-4-methylpiperidine hydrochloride2 回HCID 866263222-Methyl-3-oxo-4-(3-oxo-propyl)-piperazine-1-carboxylic acid tert-butyl ester2 回

生成物 1

HCID 66999280
1-[3-((3S,4S)-3-hydroxy-4-methyl-piperidin-1-yl)-propyl]-3-methyl-piperazin-2-one dihydrochloride
収率 194.8%

試薬・触媒・溶媒 1

HCID 6344Dichloromethane溶媒2 回

実験手順

To a suspension of (3S,4S)-4-methyl-piperidin-3-ol hydrochloride (intermediate 26; 0.04 g, 0.3 mmol) in dichloromethane (1 ml) was added triethylamine (0.04 ml, 0.3 mmol) and acetic acid (0.03 ml, 0.5 mmol) followed by a solution of crude 2-methyl-3-oxo-4-(3-oxo-propyl)piperazine-1-carboxylic acid tert-butyl ester (intermediate 14c; 0.08 g, 0.3 mmol) in dichloromethane (1 ml). Sodium triacetoxyborohydride (0.07 g, 0.4 mmol) was then added and the mixture stirred for 2 h, after which time the mixture was washed with saturated aq. sodium hydrogencarbonate solution, dried (Na2SO4) and concentrated. The crude residue was then treated with HCl in dioxane (2 ml, 4N) and stirred for 30 minutes after which time the reaction was concentrated to afford crude 1-[3-((3S,4S)-3-hydroxy-4-methyl-piperidin-1-yl)-propyl]-3-methyl-piperazin-2-one dihydrochloride as a white powder (0.1 g). To a solution of crude 1-[3-((3S,4S)-3-hydroxy-4-methyl-piperidin-1-yl)-propyl]-3-methyl-piperazin-2-one dihydrochloride (0.03 g, 0.1 mmol) in N,N-dimethylformamide (0.8 ml) was added 3,4-dichlorocinnamic acid (0.02 g, 0.1 mmol), triethylamine (0.05 ml, 0.4 mmol) and O-(7-azabenzotriazol-1-yl)-N,N,N′,N′-tetramethyluronium hexafluoro-phosphate (0.04 g, 0.1 mmol) and the reaction shaken for 1 h, after which time the reaction mixture was directly purified by preparative HPLC. This afforded the titled product as a colorless gum. MS (ISP)=468.1 (M+H)+.

後処理

  1. washafter which time the mixture was washed with saturated aq. sodium hydrogencarbonate solution
  2. dry with materialdried (Na2SO4)
  3. concentrationconcentrated
  4. additionThe crude residue was then treated with HCl in dioxane (2 ml, 4N)
  5. stirringstirred for 30 minutes after which time the reaction
  6. concentrationwas concentrated

出典と根拠

ORDレコード
ord-6bb42396d1a348b0b64b41f36cb0fa1c
出典データセット
uspto-grants-2011_11
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US08063042B2

反応ノート

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