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Phosgene → 3-Azaisatoic anhydride

HRID 2120166
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HRID 2120166 반응식
N1C=CC(N2CCC([CH2:13][NH:14][C:15]3[C:20]([C:21]([O-:23])=[O:22])=[CH:19][CH:18]=[CH:17][N:16]=3)CC2)=CC=1.[NH4+].C(Cl)(Cl)=[O:26]>O1CCOCC1>[C:20]12[C:15](=[N:16][CH:17]=[CH:18][CH:19]=1)[NH:14][C:13](=[O:26])[O:23][C:21]2=[O:22]
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참가 물질

4

반응물 2

HCID 6371PhosgeneHCID 11174879Ammonium 2-[[1-(4-pyridinyl)piperidin-4-ylmethyl]amino]pyridine-3-carboxylate

생성물 1

HCID 109865823-Azaisatoic anhydride

시약·촉매·용매 1

HCID 312751,4-Dioxane용매

실험 절차

A solution of ammonium 2-[[1-(4-pyridinyl)piperidin-4-ylmethyl]amino]pyridine-3-carboxylate (3.0 g, 9.12 mmol) in dioxane (45 mL) was treated with phosgene (1.9 M in toluene, 9.50 mL, 18.2 mmol), and the resulting mixture was heated at reflux. After 2 h, the mixture was concentrated yielding the corresponding aza-isatoic anhydride which was used without further purification. A solution of the crude anhydride (300 mg, 0.648 mmol) in tetrahydrofuran (2 mL) at 0° C. was treated with the magnesium salt of 2-amino-5-chloropyridine [2.60 mmol; freshly prepared by addition of methyl magnesium bromide (3.0 M in THF, 0.865 mL, 2.60 mmol) to 2-amino-5-chloropyridine (900 mg, 3.89 mmol) in THF (10 mL) at 0° C.]. After 17 h, the mixture was treated with a saturated aqueous solution of ammonium chloride and then partitioned between EtOAc and water. The aqueous layer was washed with EtOAc (3×) and the combined extracts were washed with water (1×), dried with sodium sulfate, and concentrated. The residue was purified by RPHPLC yielding 29 mg (9%) of the title compound as a hydrochloride salt.

후처리

  1. temperaturethe resulting mixture was heated
  2. temperatureat reflux
  3. concentrationthe mixture was concentrated

출처 및 근거

ORD 기록
ord-58e6ce48ed7b48209b4f0a765b0e1235
출처 데이터셋
uspto-grants-2004_02
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US06689780B1

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