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1-Hydroxybenzotriazole → HCID 44231565, 화합물

HRID 1665673
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HRID 1665673 반응식
[CH:1]1[CH:2]=[CH:3][C:4]2N(O)N=N[C:5]=2[CH:6]=1.C[CH2:12][N:13](C(C)C)C(C)C.CCN=C=NCCCN(C)C.Cl.Cl.[N:33]1([CH:39]=[O:40])[CH2:38][CH2:37][NH:36][CH2:35][CH2:34]1.[C:41]1([C:55]2[CH:60]=[CH:59][CH:58]=[CH:57][CH:56]=2)[CH:46]=[CH:45][C:44]([NH:47][C:48](=[O:54])[CH:49]([F:53])[C:50]([OH:52])=O)=[CH:43][CH:42]=1>CN(C=O)C.O>[C:41]1([C:55]2[CH:60]=[CH:59][CH:58]=[CH:57][CH:56]=2)[CH:42]=[CH:43][C:44]([NH:47][C:48](=[O:54])[CH:49]([F:53])[C:50]([N:36]2[CH2:37][CH2:38][N:33]([C:39](=[O:40])[C:6]3[CH:1]=[CH:2][CH:3]=[C:4]([C:12]#[N:13])[CH:5]=3)[CH2:34][CH2:35]2)=[O:52])=[CH:45][CH:46]=1
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

8

반응물 5

HCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 27239391,3-Propanediamine, N'-(ethylcarbonimidoyl)-N,N-dimethyl-, monohydrochlorideHCID 18946299260252-88-8HCID 57875825HCID 57875825, 화합물

생성물 1

HCID 44231565HCID 44231565, 화합물수율 30.1%

시약·촉매·용매 2

HCID 962Water용매HCID 6228Dimethylformamide용매

실험 절차

HOBt (60 mg, 0.43 mmol), DIPEA (141 mg, 1.09 mmol), EDCI.HCl (84 mg, 0.43 mmol), 3-cyano-phenyl)-piperazin-1-yl-methanone hydrochloride (110 mg, 0.439 mmol) were added to a stirred solution of N-biphenyl-4-yl-2-fluoro-malonamic acid (100 mg, 0.36 mmol) in DMF (2.0 mL) and the resulting mixture was stirred at the ambient temperature overnight. The mixture was then diluted with water and the product was extracted with ethyl acetate. The organics were washed with brine and concentrated to afford 51 mg (29.65%) of N-Biphenyl-4-yl-3-[4-(3-cyano-benzoyl)-piperazin-1-yl]-2-fluoro-3-oxo-propionamide. LCMS: 471.18 (M+1)+, 95.1%, 1H NMR (DMSO-d6): δ 8.3 (s, 1H), 7.8-7.3 (m, 13H), 4.3-3.7 (m, 3H), 3.7-3.3 (m, 5H).

후처리

  1. extractionthe product was extracted with ethyl acetate
  2. washThe organics were washed with brine
  3. concentrationconcentrated

출처 및 근거

ORD 기록
ord-a6fdfe3ca7424d82847cd445a4e4ddc0
출처 데이터셋
uspto-grants-2011_10
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08039463B2

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