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N,N-Dimethylglycine → HCID 58529573, 화합물

HRID 1972921
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HRID 1972921 반응식
[CH2:1]([N:8]1[CH:16]=[C:15]2[C:10]([CH:11]=[C:12]([C:17]3[CH:18]=[C:19]([CH:27]4[CH2:32][CH2:31][CH2:30][CH2:29][NH:28]4)[N:20]4[C:25]=3[C:24]([NH2:26])=[N:23][CH:22]=[N:21]4)[CH:13]=[CH:14]2)=[N:9]1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[CH3:33][N:34]([CH3:39])[CH2:35][C:36](O)=[O:37].CCN=C=NCCCN(C)C.Cl.C1C=CC2N(O)N=NC=2C=1.C(N(CC)C(C)C)(C)C>CN(C=O)C>[CH2:1]([N:8]1[CH:16]=[C:15]2[C:10]([CH:11]=[C:12]([C:17]3[CH:18]=[C:19]([CH:27]4[CH2:32][CH2:31][CH2:30][CH2:29][N:28]4[C:36](=[O:37])[CH2:35][N:34]([CH3:39])[CH3:33])[N:20]4[C:25]=3[C:24]([NH2:26])=[N:23][CH:22]=[N:21]4)[CH:13]=[CH:14]2)=[N:9]1)[C:2]1[CH:3]=[CH:4][CH:5]=[CH:6][CH:7]=1
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참가 물질

7

반응물 5

HCID 673N,N-DimethylglycineHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 27239391,3-Propanediamine, N'-(ethylcarbonimidoyl)-N,N-dimethyl-, monohydrochlorideHCID 693035755-(2-benzyl-2H-indazol-6-yl)-7-Piperidin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine

생성물 1

HCID 58529573
HCID 58529573, 화합물
수율 10%

시약·촉매·용매 1

HCID 6228Dimethylformamide용매

실험 절차

A mixture of 5-(2-benzyl-2H-indazol-6-yl)-7-piperidin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine (100 mg, 0.22 mmol), N,N-dimethylglycine (27 mg, 0.26 mmol), EDCl (46 mg, 0.24 mmol), HOBt (32 mg, 0.24 mmol), and N,N-diisopropylethylamine (114 μL, 0.65 mmol) in DMF (1.5 mL) was stirred at it for 16 h. The crude mixture was purified by preparative HPLC using a gradient elution from 15% to 45% acetonitrile in water followed by filtration through an acidic resin, washing with MeOH. The product was eluted with 2M NH3 in MeOH and the filtrate was concentrated to provide 11 mg (10%) of the desired product. NMR (400 MHz, CD3OD) δ 8.54 (s, 1 H), 7.90 (s, 1 H), 7.80 (d, 1 H), 7.55-7.68 (m, 1 H), 7.25-7.42 (m, 5 H), 7.16 (s, 1 H), 6.08 (d, 1 H), 5.65 (s, 2 H), 3.59-4.46 (m, 2 H), 2.99-3.26 (m, 1 H), 2.63-2.85 (m, 1 H), 2.25-2.42 (m, 1 H), 1.97 (s, 6 H), 1.54-1.82 (m, 3 H), 1.29-1.53 (m, 1 H), 1.22 (s, 2 H); ES-MS m/z 509.26 [M+H]+, HPLC RT (min) 2.16.

후처리

  1. customThe crude mixture was purified by preparative HPLC
  2. washa gradient elution from 15% to 45% acetonitrile in water
  3. filtrationfollowed by filtration through an acidic resin
  4. washwashing with MeOH
  5. washThe product was eluted with 2M NH3 in MeOH
  6. concentrationthe filtrate was concentrated

출처 및 근거

ORD 기록
ord-4bb4e9f01b7c44dbb81e22c5d7592122
출처 데이터셋
uspto-grants-2013_04
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08431695B2

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