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Tetrahydrofuran → 4-(5-oxo-3-phenyl-4,5-dihydro-1,2,4-triazol-1-yl)-piperidine-1-carboxylic acid-{(R)-1-(3,4-diethyl-benzyl)-2-[4-(1-methyl-piperidin-4-yl)-piperazin-1-yl]-2-oxo-ethyl}-amide

HRID 644323
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HRID 644323 반응식
[NH2:1][C@H:2]([CH2:18][C:19]1[CH:24]=[CH:23][C:22]([CH2:25][CH3:26])=[C:21]([CH2:27][CH3:28])[CH:20]=1)[C:3]([N:5]1[CH2:10][CH2:9][N:8]([CH:11]2[CH2:16][CH2:15][N:14]([CH3:17])[CH2:13][CH2:12]2)[CH2:7][CH2:6]1)=[O:4].C(N(C(C)C)C(C)C)C.[C:38]1([C:44]2[NH:45][C:46](=[O:55])[N:47]([CH:49]3[CH2:54][CH2:53][NH:52][CH2:51][CH2:50]3)[N:48]=2)[CH:43]=[CH:42][CH:41]=[CH:40][CH:39]=1.C1C[O:59][CH2:58]C1>>[CH2:27]([C:21]1[CH:20]=[C:19]([CH:24]=[CH:23][C:22]=1[CH2:25][CH3:26])[CH2:18][C@@H:2]([NH:1][C:58]([N:52]1[CH2:51][CH2:50][CH:49]([N:47]2[C:46](=[O:55])[NH:45][C:44]([C:38]3[CH:39]=[CH:40][CH:41]=[CH:42][CH:43]=3)=[N:48]2)[CH2:54][CH2:53]1)=[O:59])[C:3]([N:5]1[CH2:10][CH2:9][N:8]([CH:11]2[CH2:16][CH2:15][N:14]([CH3:17])[CH2:13][CH2:12]2)[CH2:7][CH2:6]1)=[O:4])[CH3:28]
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참가 물질

5

반응물 4

HCID 8028TetrahydrofuranHCID 81531DiisopropylethylamineHCID 11560098(R)-2-amino-3-(3,4-diethyl-phenyl)-1-[4-(1-methylpiperidin-4-yl)-piperazin-1-yl]-propan-1-oneHCID 1356275985-Phenyl-2-piperidin-4-YL-2,4-dihydro-[1,2,4]triazol-3-one

생성물 1

HCID 135474522
4-(5-oxo-3-phenyl-4,5-dihydro-1,2,4-triazol-1-yl)-piperidine-1-carboxylic acid-{(R)-1-(3,4-diethyl-benzyl)-2-[4-(1-methyl-piperidin-4-yl)-piperazin-1-yl]-2-oxo-ethyl}-amide

실험 절차

A mixture of 400 mg (1.04 mmol) (R)-2-amino-3-(3,4-diethyl-phenyl)-1-[4-(1-methyl-piperidin-4-yl)-piperazin-1-yl]-propan-1-one, 205 mg (1.25 mmol) CDT, 0.2 mL (1.15 mmol) ethyldiisopropylamine and 50 mL THF was stirred for 1 h while cooling with an ice bath and stirred for 1 h at RT, then combined with 270 mg (1.11 mmol) 5-phenyl-2-piperidin-4-yl-2,4-dihydro-[1,2,4]triazol-3-one and refluxed for 4 h. The reaction mixture was evaporated down under reduced pressure, the residue was combined with saturated NaHCO3 solution and exhaustively extracted with DCM. The combined organic phases were dried, evaporated down under reduced pressure and the residue was purified by chromatography on silica gel. The product fractions were evaporated down under reduced pressure, the residue was triturated with diisopropylether, suction filtered and dried.

후처리

  1. temperaturewhile cooling with an ice bath
  2. stirringstirred for 1 h at RT
  3. temperaturerefluxed for 4 h
  4. customThe reaction mixture was evaporated down under reduced pressure
  5. extractionexhaustively extracted with DCM
  6. customThe combined organic phases were dried
  7. customevaporated down under reduced pressure
  8. customthe residue was purified by chromatography on silica gel
  9. customThe product fractions were evaporated down under reduced pressure
  10. customthe residue was triturated with diisopropylether, suction
  11. filtrationfiltered
  12. customdried

출처 및 근거

ORD 기록
ord-4974a1792c8b44b0ae05504382bee047
출처 데이터셋
uspto-grants-2010_04
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US07700589B2

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