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Water → HCID 66616567, 화합물

HRID 1889659
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HRID 1889659 반응식
[Cl:1][C:2]1[CH:3]=[C:4]([CH:15]=[C:16]([Cl:18])[CH:17]=1)[CH2:5][NH:6][CH2:7][C:8]1[CH:13]=[CH:12][C:11]([F:14])=[CH:10][CH:9]=1.CCN=C=NCCC[N:27]([CH3:29])C.Cl.[C:31](C(N)C1C=C(C=CC=1)C(O)=O)([O:33][C:34]([CH3:37])([CH3:36])[CH3:35])=[O:32].[CH:49]1[CH:50]=[CH:51][C:52]2N(O)N=N[C:53]=2[CH:54]=1.O.CN([CH:63]=[O:64])C>C(OCC)(=O)C.Cl>[Cl:1][C:2]1[CH:3]=[C:4]([CH:15]=[C:16]([Cl:18])[CH:17]=1)[CH2:5][N:6]([CH2:7][C:8]1[CH:9]=[CH:10][C:11]([F:14])=[CH:12][CH:13]=1)[C:63]([C:49]1[CH:54]=[C:53]([CH:52]=[CH:51][CH:50]=1)[CH2:29][NH:27][C:31](=[O:32])[O:33][C:34]([CH3:35])([CH3:36])[CH3:37])=[O:64]
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

9

반응물 6

HCID 962WaterHCID 6228DimethylformamideHCID 757711-HydroxybenzotriazoleHCID 27239391,3-Propanediamine, N'-(ethylcarbonimidoyl)-N,N-dimethyl-, monohydrochlorideHCID 22997357HCID 22997357, 화합물HCID 58531427N-(3,5-Dichlorobenzyl)-1-(4-fluorophenyl)methanamine

생성물 1

HCID 66616567
HCID 66616567, 화합물
수율 89%

시약·촉매·용매 2

HCID 313Hydrochloric Acid용매HCID 8857Ethyl Acetate용매

실험 절차

A solution of N-(3,5-dichlorobenzyl)-1-(4-fluorophenyl)methanamine (0.5 g, 1.76 mmol), EDCI.HCl (0.47 g, 2.46 mmol), 3-(Boc-aminomethyl)benzoic acid (0.53 g, 2.11 mmol) and HOBT.H2O (0.16 g, 1.06 mmol) in DMF (8 mL) was stirred at rt for 20 h. The residue was diluted with ethyl acetate and 1 N HCl solution. The organic layer was separated, washed with 1N NaOH solution, brine, dried over MgSO4, concentrated and the residue was purified by flash chromatography on silica gel (Eluent: A: CH2Cl2, B: ethyl acetate; condition: 100% A to 15% B. (35 min gradient) to obtain the desired product as a white solid (0.81 g, 89%). 1H NMR (CDCl3): δ 7.42-7.32 (m, 5H), 7.17-6.99 (m, 6H), 4.88-4.63 (m, 2H), 4.42-4.35 (m, 4H), 1.47 (s, 9H).

후처리

  1. customThe organic layer was separated
  2. washwashed with 1N NaOH solution, brine
  3. dry with materialdried over MgSO4
  4. concentrationconcentrated
  5. customthe residue was purified by flash chromatography on silica gel (Eluent

출처 및 근거

ORD 기록
ord-7717becd6fd242e89edecdb2930caac1
출처 데이터셋
uspto-grants-2013_08
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08501992B2

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