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Diisopropylethylamine → O=C(Ccc(=O)OC(C)(C)C)N1ccc(=CC1)B1OC(C(O1)(C)C)(C)C

HRID 1486867
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HRID 1486867 반응식
CN(C(ON1N=NC2C=CC=NC1=2)=[N+](C)C)C.F[P-](F)(F)(F)(F)F.Cl.[CH3:26][C:27]1([CH3:40])[C:31]([CH3:33])([CH3:32])[O:30][B:29]([C:34]2[CH2:35][CH2:36][NH:37][CH2:38][CH:39]=2)[O:28]1.[C:41]([O:45][C:46](=[O:52])[CH2:47][CH2:48][C:49](O)=[O:50])([CH3:44])([CH3:43])[CH3:42].C(N(CC)C(C)C)(C)C>O.CN(C=O)C>[O:50]=[C:49]([N:37]1[CH2:36][CH:35]=[C:34]([B:29]2[O:28][C:27]([CH3:40])([CH3:26])[C:31]([CH3:32])([CH3:33])[O:30]2)[CH2:39][CH2:38]1)[CH2:48][CH2:47][C:46]([O:45][C:41]([CH3:44])([CH3:43])[CH3:42])=[O:52]
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

7

반응물 4

HCID 81531DiisopropylethylamineHCID 41391074-(Tert-butoxy)-4-oxobutanoic acidHCID 9886157Methanaminium, N-((dimethylamino)(3H-1,2,3-triazolo(4,5-b)pyridin-3-yloxy)methylene)-N-methyl-, hexafluorophosphate(1-) (1:1)HCID 497610841,2,3,6-Tetrahydropyridine-4-boronic acid, pinacol ester hydrochloride

생성물 1

HCID 131736829O=C(Ccc(=O)OC(C)(C)C)N1ccc(=CC1)B1OC(C(O1)(C)C)(C)C
수율 62.5%

시약·촉매·용매 2

HCID 962Water용매HCID 6228Dimethylformamide용매

실험 절차

HATU (3.68 g) was added to a mixture of 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,6-tetrahydropyridine hydrochloride (1.98 g), 4-tert-butoxy-4-oxobutanoic acid (1.686 g), N,N-diisopropylethylamine (3.38 mL), and DMF (20 mL) at 0 C, and the obtained mixture was stirred at room temperature for 3 days. To the reaction mixture, water was added, followed by extraction with ethyl acetate. The extract was washed with brine and dried over anhydrous magnesium sulfate, and then, the solvent was distilled off under reduced pressure. The residue was purified by silica gel column chromatography (NH, ethyl acetate/hexane) to obtain the title compound (1.84 g).

후처리

  1. extractionfollowed by extraction with ethyl acetate
  2. washThe extract was washed with brine
  3. dry with materialdried over anhydrous magnesium sulfate
  4. distillationthe solvent was distilled off under reduced pressure
  5. customThe residue was purified by silica gel column chromatography (NH, ethyl acetate/hexane)

출처 및 근거

ORD 기록
ord-e788cae5e57446d086d8ea48da51673d
출처 데이터셋
uspto-grants-2016_08
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US09428470B2

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