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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
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HRID 559364 반응식
[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
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참가 물질

7

반응물 5

HCID 176Acetic AcidHCID 8471TriethylamineHCID 5049666Sodium triacetoxyborohydrideHCID 66998978cis-3-Hydroxy-4-methylpiperidine hydrochloride2회HCID 866263222-Methyl-3-oxo-4-(3-oxo-propyl)-piperazine-1-carboxylic acid tert-butyl ester2회

생성물 1

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

시약·촉매·용매 1

HCID 6344Dichloromethane용매2회

실험 절차

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)+.

후처리

  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

출처 및 근거

ORD 기록
ord-6bb42396d1a348b0b64b41f36cb0fa1c
출처 데이터셋
uspto-grants-2011_11
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08063042B2

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