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1,2-Dichloroethane → 2-(4-{[(4-Bromo-5-ethyl-1H-pyrrol-2-yl)carbonyl]amino}piperidin-1-yl)-6-chloroisonicotinamide

HRID 2233916
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HRID 2233916 반응식
C(N(C(C)C)CC)(C)C.C(Cl)CCl.C1C=NC2N(O)N=NC=2C=1.[Br:24][C:25]1[CH:26]=[C:27]([C:32]([OH:34])=O)[NH:28][C:29]=1[CH2:30][CH3:31].Cl.[NH2:36][CH:37]1[CH2:42][CH2:41][N:40]([C:43]2[CH:44]=[C:45]([CH:49]=[C:50]([Cl:52])[N:51]=2)[C:46]([NH2:48])=[O:47])[CH2:39][CH2:38]1>CN(C=O)C>[Br:24][C:25]1[CH:26]=[C:27]([C:32]([NH:36][CH:37]2[CH2:38][CH2:39][N:40]([C:43]3[CH:44]=[C:45]([CH:49]=[C:50]([Cl:52])[N:51]=3)[C:46]([NH2:48])=[O:47])[CH2:41][CH2:42]2)=[O:34])[NH:28][C:29]=1[CH2:30][CH3:31]
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참가 물질

7

반응물 5

HCID 111,2-DichloroethaneHCID 81531DiisopropylethylamineHCID 181649HOAtHCID 685798234-Bromo-5-ethyl-1H-pyrrole-2-carboxylic acid2회HCID 866082552-(4-Aminopiperidin-1-yl)-6-chloroisonicotinamide hydrochloride2회

생성물 1

HCID 86608271
2-(4-{[(4-Bromo-5-ethyl-1H-pyrrol-2-yl)carbonyl]amino}piperidin-1-yl)-6-chloroisonicotinamide

시약·촉매·용매 1

HCID 6228Dimethylformamide용매2회

실험 절차

Diisopropylethylamine (0.28 ml, 1.64 mmol), EDC (0.088 g, 0.46 mmol) and HOAT (0.063 g, 0.46 mmol) were added to a stirred solution of 4-bromo-5-ethyl-1H-pyrrole-2-carboxylic acid (Intermediate 10, 0.1 g, 0.46 mmol) in DMF (1.5 ml) at room temperature. The resultant solution was stirred for 30 mins and a solution of 2-(4-aminopiperidin-1-yl)-6-chloroisonicotinamide hydrochloride (Intermediate 70, 0.14 g, 0.55 mmol) in 3 ml of DMF was added. The reaction was stirred overnight, then concentrated under vacuum and the residue was partitioned between water and EtOAc. The aqueous layer was extracted with EtOAc (×2) and the combined organic extracts were washed with 1 N HCl, water and brine, dried over MgSO4 and concentrated under vacuum. The residue was purified by reverse phase chromatography to give the desired product as a white solid.

후처리

  1. concentrationconcentrated under vacuum
  2. customthe residue was partitioned between water and EtOAc
  3. extractionThe aqueous layer was extracted with EtOAc (×2)
  4. washthe combined organic extracts were washed with 1 N HCl, water and brine
  5. dry with materialdried over MgSO4
  6. concentrationconcentrated under vacuum
  7. customThe residue was purified by reverse phase chromatography

출처 및 근거

ORD 기록
ord-31287a23d0ee41f99b3c29558c475577
출처 데이터셋
uspto-grants-2010_05
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US07709503B2

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