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Potassium Carbonate → tert-butyl 2-(4-((5-(2-methoxybenzylcarbamoyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)methyl)piperidin-1-yl)ethyl(methyl)carbamate

HRID 2196542
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HRID 2196542 반응식
[CH3:1][O:2][C:3]1[CH:28]=[CH:27][CH:26]=[CH:25][C:4]=1[CH2:5][NH:6][C:7]([C:9]1[N:13]([CH2:14][CH:15]2[CH2:20][CH2:19][NH:18][CH2:17][CH2:16]2)[N:12]=[C:11]([C:21]([F:24])([F:23])[F:22])[CH:10]=1)=[O:8].C(=O)([O-])[O-].[K+].[K+].Br[CH2:36][CH2:37][N:38]([CH3:46])[C:39](=[O:45])[O:40][C:41]([CH3:44])([CH3:43])[CH3:42].Br[C@H]1CCN(C(OC(C)(C)C)=O)C1.OCCN(C)C(=O)OC(C)(C)C>CN(C=O)C>[CH3:1][O:2][C:3]1[CH:28]=[CH:27][CH:26]=[CH:25][C:4]=1[CH2:5][NH:6][C:7]([C:9]1[N:13]([CH2:14][CH:15]2[CH2:20][CH2:19][N:18]([CH2:36][CH2:37][N:38]([CH3:46])[C:39](=[O:45])[O:40][C:41]([CH3:43])([CH3:42])[CH3:44])[CH2:17][CH2:16]2)[N:12]=[C:11]([C:21]([F:22])([F:23])[F:24])[CH:10]=1)=[O:8]
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7

반응물 5

HCID 11430Potassium CarbonateHCID 545700N-(tert-Butoxycarbonyl)-N-methyl-2-aminoethanolHCID 34179480(S)-tert-butyl 3-bromopyrrolidine-1-carboxylateHCID 53743212HCID 53743212, 화합물2회HCID 59843153N-(2-methoxybenzyl)-1-(piperidin-4-ylmethyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide

생성물 1

HCID 59843155
tert-butyl 2-(4-((5-(2-methoxybenzylcarbamoyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)methyl)piperidin-1-yl)ethyl(methyl)carbamate
수율 12%

시약·촉매·용매 1

HCID 6228Dimethylformamide용매

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온도
0 °C

실험 절차

To a stirred solution of 83 (87 mg, 0.171 mmol) in DMF (855 μl) was added potassium carbonate (59.1 mg, 0.428 mmol). The mixture was cooled to 0° C., then followed by the addition of tert-butyl 2-bromoethyl(methyl)carbamate (44.8 mg, 0.188 mmol) [made by following the procedure described above for the synthesis of 72 (scheme 10, example 8, step 1), except using tert-butyl 2-hydroxyethyl(methyl)carbamate in place of N-Boc-(R)-3-hydroxypyrrolidine]. The mixture was stirred at room temperature for 16 h, and then more tert-butyl 2-bromoethyl(methyl)carbamate (44.8 mg, 0.188 mmol) was added. The mixture was stirred at room temperature for 30 min, then at 80° C. for 1 hour. The mixture was quenched with water and extracted with ethyl acetate, washed with brine, dried (MgSO4) filtered and concentrated. The residue was purified by silica gel column chromatography with gradient of methanol (0-10%) in dichloromethane to afford 84 (11 mg, 12%) as a white solid. LRMS (ESI): calc. 553.3; found 554.2 (MNa)+.

후처리

  1. stirringThe mixture was stirred at room temperature for 30 min
  2. waitat 80° C. for 1 hour
  3. customThe mixture was quenched with water
  4. extractionextracted with ethyl acetate
  5. washwashed with brine
  6. dry with materialdried (MgSO4)
  7. filtrationfiltered
  8. concentrationconcentrated
  9. customThe residue was purified by silica gel column chromatography with gradient of methanol (0-10%) in dichloromethane

출처 및 근거

ORD 기록
ord-0beaa07835e44087a0c792a6337d72f3
출처 데이터셋
uspto-grants-2012_12
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08338437B2

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