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Water → 1-(4,6-Di-pyridin-3-yl-thiazolo[5,4-c]pyridin-2-yl)-3-ethyl-urea

HRID 447067
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HRID 447067 반응식
Br[C:2]1[C:7]2[S:8][C:9]([NH:11][C:12]([NH:14][CH2:15][CH3:16])=[O:13])=[N:10][C:6]=2[CH:5]=[C:4](Br)[N:3]=1.[N:18]1[CH:23]=[CH:22][CH:21]=[C:20](B(O)O)[CH:19]=1.[O-]P([O-])([O-])=O.[K+].[K+].[K+].O>CN(C=O)C.O.C1C=CC([P]([Pd]([P](C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)([P](C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)[P](C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)=CC=1>[N:18]1[CH:23]=[CH:22][CH:21]=[C:20]([C:2]2[C:7]3[S:8][C:9]([NH:11][C:12]([NH:14][CH2:15][CH3:16])=[O:13])=[N:10][C:6]=3[CH:5]=[C:4]([C:7]3[CH:2]=[N:3][CH:4]=[CH:5][CH:6]=3)[N:3]=2)[CH:19]=1
참가 물질반응 조건실험 절차후처리출처 및 근거반응 노트

참가 물질

7

반응물 4

HCID 962WaterHCID 62657Potassium Phosphate, TribasicHCID 27343783-Pyridinylboronic acidHCID 580332371-(4,6-Dibromothiazolo[5,4-c]pyridin-2-yl)-3-ethylurea

생성물 1

HCID 426229601-(4,6-Di-pyridin-3-yl-thiazolo[5,4-c]pyridin-2-yl)-3-ethyl-urea수율 46.9%

시약·촉매·용매 2

HCID 178418397
HCID 178418397, 화합물
촉매
HCID 21962138N,N-Dimethylformamide--water (1/1)용매

반응 조건

온도
90 °C

실험 절차

To a solution of 1-(4,6-dibromo-thiazolo[5,4-c]pyridin-2-yl)-3-ethyl-urea (0.07 g, 0.17 mmol) in DMF:H2O (3:1, 4 mL) was added pyridine-3-boronic acid (0.08 g, 0.68 mmol) and potassium phosphate tribasic (0.09 g, 0.43 mmol) at room temperature under nitrogen atmosphere. The reaction mixture was degassed by bubbling nitrogen for 15-20 min followed by addition of Pd(PPh3)4 (0.04 g, 0.07 mmol). The resulting solution was again degassed for 15-20 min followed by heating up to 90° C. overnight. After completion of reaction (TLC monitoring), the reaction mixture was cooled, water was added and extracted with ethyl acetate, dried over Na2SO4 and evaporated to dryness under high vacuum. The crude residue was purified by Prep HPLC to get the desired product (0.015 g, 23%).

후처리

  1. customThe reaction mixture was degassed
  2. customby bubbling nitrogen for 15-20 min
  3. customThe resulting solution was again degassed for 15-20 min
  4. customAfter completion of reaction (TLC monitoring)
  5. temperaturethe reaction mixture was cooled
  6. extractionextracted with ethyl acetate
  7. dry with materialdried over Na2SO4
  8. customevaporated to dryness under high vacuum
  9. customThe crude residue was purified by Prep HPLC

출처 및 근거

ORD 기록
ord-af33ba7c571440c392724a530bbac7e4
출처 데이터셋
uspto-grants-2013_07
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08481544B2

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