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2-(Methylamino)ethanol → HCID 59149702, 화합물

HRID 1675074
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HRID 1675074 반응식
CN(C(ON1N=NC2C=CC=NC1=2)=[N+](C)C)C.F[P-](F)(F)(F)(F)F.[F:25][C:26]([F:55])([F:54])[C:27]1[N:31]2[N:32]=[C:33]([N:36]3[CH2:41][CH2:40][CH:39]([C:42]4[C:50]5[C:45](=[CH:46][CH:47]=[C:48]([C:51]([OH:53])=O)[CH:49]=5)[NH:44][CH:43]=4)[CH2:38][CH2:37]3)[CH:34]=[CH:35][C:30]2=[N:29][N:28]=1.[CH3:56][NH:57][CH2:58][CH2:59][OH:60].CCN(C(C)C)C(C)C>CN(C=O)C>[OH:60][CH2:59][CH2:58][N:57]([CH3:56])[C:51]([C:48]1[CH:49]=[C:50]2[C:45](=[CH:46][CH:47]=1)[NH:44][CH:43]=[C:42]2[CH:39]1[CH2:38][CH2:37][N:36]([C:33]2[CH:34]=[CH:35][C:30]3[N:31]([C:27]([C:26]([F:25])([F:54])[F:55])=[N:28][N:29]=3)[N:32]=2)[CH2:41][CH2:40]1)=[O:53]
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

6

반응물 4

HCID 80162-(Methylamino)ethanolHCID 81531DiisopropylethylamineHCID 9886157Methanaminium, N-((dimethylamino)(3H-1,2,3-triazolo(4,5-b)pyridin-3-yloxy)methylene)-N-methyl-, hexafluorophosphate(1-) (1:1)HCID 67339697HCID 67339697, 화합물

생성물 1

HCID 59149702HCID 59149702, 화합물수율 91%

시약·촉매·용매 1

HCID 6228Dimethylformamide용매

실험 절차

HATU (139 mg, 0.37 mmol) was added portionwise at ambient temperature to a stirred mixture of 3-[1-[3-(trifluoromethyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]-1H-indole-5-carboxylic acid (150 mg, 0.35 mmol), 2-(methylamino)ethanol (0.034 mL, 0.42 mmol) and DIPEA (0.073 mL, 0.42 mmol) in DMF (2.0 mL). The resulting solution was stirred for 2 hours then purified by preparative HPLC (Waters XBridge Prep C18 OBD column, 5μ silica, 19 mm diameter, 100 mm length), using decreasingly polar mixtures of water (containing 1% ammonia) and MeCN as eluents. Fractions containing the desired compound were evaporated to dryness to afford N-(2-hydroxyethyl)-N-methyl-3-[1-[3-(trifluoromethyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]-1H-indole-5-carboxamide (155 mg, 91%) as a colourless solid.

후처리

  1. customthen purified by preparative HPLC (Waters XBridge Prep C18 OBD column, 5μ silica, 19 mm diameter, 100 mm length)
  2. additionFractions containing the desired compound
  3. customwere evaporated to dryness

출처 및 근거

ORD 기록
ord-cbf11edc404842afa25ea32140bfd5dd
출처 데이터셋
uspto-grants-2011_08
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08003649B2

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