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4-Methylmorpholine → HCID 49830366, 화합물

HRID 2090279
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HRID 2090279 반응식
[NH2:1][C:2]1[C:7]2[C:8]([C:11]3[CH:16]=[CH:15][C:14]([NH:17][C:18]([NH:20][C:21]4[CH:26]=[CH:25][CH:24]=[C:23]([F:27])[CH:22]=4)=[O:19])=[CH:13][CH:12]=3)=[CH:9][S:10][C:6]=2[C:5]([C:28](O)=[O:29])=[CH:4][N:3]=1.[CH2:31]([N:33]([CH2:38][CH3:39])[CH2:34][CH2:35][CH2:36][NH2:37])[CH3:32].O.ON1C2C=CC=CC=2N=N1.CN1CCOCC1.Cl.C(N=C=NCCCN(C)C)C>CN(C)C=O.CO.C(OCC)(=O)C.O>[NH2:1][C:2]1[C:7]2[C:8]([C:11]3[CH:12]=[CH:13][C:14]([NH:17][C:18](=[O:19])[NH:20][C:21]4[CH:26]=[CH:25][CH:24]=[C:23]([F:27])[CH:22]=4)=[CH:15][CH:16]=3)=[CH:9][S:10][C:6]=2[C:5]([C:28]([NH:37][CH2:36][CH2:35][CH2:34][N:33]([CH2:38][CH3:39])[CH2:31][CH3:32])=[O:29])=[CH:4][N:3]=1
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

10

반응물 5

HCID 79724-MethylmorpholineHCID 61011N,N-Diethyl-1,3-propanediamineHCID 27239391,3-Propanediamine, N'-(ethylcarbonimidoyl)-N,N-dimethyl-, monohydrochlorideHCID 27960291-Hydroxybenzotriazole hydrateHCID 71224649HCID 71224649, 화합물

생성물 1

HCID 49830366HCID 49830366, 화합물

시약·촉매·용매 4

HCID 887Methanol용매HCID 962Water용매HCID 6228Dimethylformamide용매HCID 8857Ethyl Acetate용매

실험 절차

A solution of example 1C (7.41 g, 17.55 mmol), N,N-diethyl-1,3-propanediamine (3.32 ml, 21.06 mmol), 1-hydroxybenzotriazole hydrate (2.96 g, 19.31 mmol) and N-methylmorpholine (4.82 ml, 43.9 mmol) in N,N-dimethylformamide (88 ml) at room temperature was treated with 1-ethyl-3-[3-(dimethylamino)propyl]-carbodiimide hydrochloride (6.06 g, 31.6 mmol). The mixture was added to a well stirred solution of water (800 ml) and ethyl acetate (150 ml) using methanol to rinse the syringe and filter. The resulting suspension was stirred under a stream of nitrogen for several minutes to remove some of the methanol, and filtered with water and diethyl ether rinses to give, after drying, the title compound. 1H NMR (300 MHz, DMSO-d6) δ ppm 0.96 (t, J=7.14 Hz, 6H), 1.61-1.73 (m, 2H), 2.40-2.47 (m, 4H), 3.23-3.38 (m, 4H), 5.89 (bs, 2H), 6.80 (td, J=8.33, 2.78, 1H), 7.14 (bd, J=9.12, 1H), 7.27-7.34 (m, 1H), 7.37 (d, J=8 Hz, 2H), 7.47 (s, 1H) 7.51 (dt, J=11.92, 2.38 Hz, 1H), 7.60 (d, J=8 Hz, 2H), 8.45-8.53 (m, 2H) 8.94 (s, 1H) 8.98 (s, 1H). MS (ESI(+)) m/e 535.2 (M+H)+.

후처리

  1. additionThe mixture was added to a well
  2. washto rinse the syringe
  3. filtrationfilter
  4. customto remove some of the methanol
  5. filtrationfiltered with water and diethyl ether rinses
  6. customto give
  7. customafter drying

출처 및 근거

ORD 기록
ord-ab8a07000e034073ab7d07063587d397
출처 데이터셋
uspto-grants-2013_05
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08436179B2

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