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Diisopropylethylamine → HCID 68281563, 화합물

HRID 1425948
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HRID 1425948 반응식
[C:1]([O:5][C:6]([NH:8][C@H:9]([CH2:13][CH2:14][C:15]1[CH:20]=[CH:19][C:18]([C:21]([F:24])([F:23])[F:22])=[CH:17][CH:16]=1)[C:10]([OH:12])=O)=[O:7])([CH3:4])([CH3:3])[CH3:2].[NH2:25][C:26]1[CH:27]=[CH:28][C:29]2[C:33]([CH3:35])([CH3:34])[O:32][B:31]([OH:36])[C:30]=2[CH:37]=1.CCN(C(C)C)C(C)C.CN(C(ON1N=NC2C=CC=NC1=2)=[N+](C)C)C.F[P-](F)(F)(F)(F)F>C(Cl)Cl>[OH:36][B:31]1[C:30]2[CH:37]=[C:26]([NH:25][C:10](=[O:12])[C@H:9]([NH:8][C:6](=[O:7])[O:5][C:1]([CH3:4])([CH3:2])[CH3:3])[CH2:13][CH2:14][C:15]3[CH:20]=[CH:19][C:18]([C:21]([F:22])([F:24])[F:23])=[CH:17][CH:16]=3)[CH:27]=[CH:28][C:29]=2[C:33]([CH3:35])([CH3:34])[O:32]1
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

6

반응물 4

HCID 81531DiisopropylethylamineHCID 9886157Methanaminium, N-((dimethylamino)(3H-1,2,3-triazolo(4,5-b)pyridin-3-yloxy)methylene)-N-methyl-, hexafluorophosphate(1-) (1:1)HCID 583731006-amino-3,3-dimethylbenzo[c][1,2]oxaborol-1(3H)-olHCID 67520362Boc-(R)-4-Trifluoromethylhomophenylalanine

생성물 1

HCID 68281563HCID 68281563, 화합물수율 99%

시약·촉매·용매 1

HCID 6344Dichloromethane용매

실험 절차

To a suspension of (R)-2-(tert-butoxycarbonylamino)-4-(4-(trifluoromethyl)phenyl)butanoic acid (LXXI) (1 g, 2.88 mmol) and 6-amino-3,3-dimethylbenzo[c][1,2]oxaborol-1(3H)-ol (XCVIII) (0.615 g, 2.88 mmol) in dry DCM (10 mL) was added DIPEA (1.47 mL, 8.64 mmol). To this solution was added HATU (1.09 g, 2.88 mmol) and the mixture was stirred at room temperature overnight. The mixture was washed with 2 N aqueous HCl, 1 M aqueous K2CO3, brine, dried over MgSO4 and evaporated under vacuum to give (R)-tert-butyl 1-(1-hydroxy-3,3-dimethyl-1,3-dihydrobenzo[c][1,2]oxaborol-6-ylamino)-1-oxo-4-(4-(trifluoromethyl)phenyl)butan-2-ylcarbamate (1.44 g, 2.84 mmol, 99% yield). ESIMS found for C25H30BF3N2O5 m/z 507.5 (M+H).

후처리

  1. washThe mixture was washed with 2 N aqueous HCl, 1 M aqueous K2CO3, brine
  2. dry with materialdried over MgSO4
  3. customevaporated under vacuum

출처 및 근거

ORD 기록
ord-6b66727ed9474e1282007d79e940af0e
출처 데이터셋
uspto-grants-2015_01
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08933018B2

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