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Water → HCID 87544567, 화합물

HRID 222100
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HRID 222100 반응식
[C:1]([N:20]1[CH:28]=[C:27]2[C:22]([CH2:23][CH2:24][CH2:25][C:26]2=[N:29][OH:30])=[N:21]1)([C:14]1[CH:19]=[CH:18][CH:17]=[CH:16][CH:15]=1)([C:8]1[CH:13]=[CH:12][CH:11]=[CH:10][CH:9]=1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.N1C=CC=C[CH:32]=1.C[C:38]#[C:39][C:40]([O-:42])=[O:41].O>CS(C)=O>[CH3:32][O:42][C:40](=[O:41])[CH:39]=[CH:38][O:30]/[N:29]=[C:26]1/[C:27]2[C:22]([CH2:23][CH2:24][CH2:25]/1)=[N:21][N:20]([C:1]([C:14]1[CH:19]=[CH:18][CH:17]=[CH:16][CH:15]=1)([C:8]1[CH:13]=[CH:12][CH:11]=[CH:10][CH:9]=1)[C:2]1[CH:3]=[CH:4][CH:5]=[CH:6][CH:7]=1)[CH:28]=2
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

6

반응물 4

HCID 962WaterHCID 1049PyridineHCID 6994510HCID 6994510, 화합물HCID 86640247HCID 86640247, 화합물

생성물 1

HCID 87544567HCID 87544567, 화합물수율 94%

시약·촉매·용매 1

HCID 679Dimethyl Sulfoxide용매

실험 절차

To a solution of 2-trityl-2,5,6,7-tetrahydro-indazol-4-one oxime 3B (0.51 mmol) in dry DMSO (1 mL) and a catalytic amount of pyridine, methylpropiolate (1.1 eq) was added and the reaction mixture was stirred at rt for 1.5 h. The mixture was poured into water and the slurry was extracted with AcOEt. The organic layer was washed with brine, dried (Na2SO4) and concentrated to yield the title compound (94%). ESI (+) MS: m/z 478 (MH+). 1H NMR: 1.73-1.93 (m, 2H), 2.10-2.28 (m, 2H), 2.52-2.60 (m, 1H), 2.71-2.79 (m, 1H), 3.83 (s, 3H), 5.40 (d, J=12, 1H), 7.03 (s, 1H), 7.20-7.31 (m, 15H), 8.50 (d, J=12, 1H).

후처리

  1. extractionthe slurry was extracted with AcOEt
  2. washThe organic layer was washed with brine
  3. dry with materialdried (Na2SO4)
  4. concentrationconcentrated

출처 및 근거

ORD 기록
ord-a57124727d5d48d69f947e771c377267
출처 데이터셋
uspto-grants-2012_06
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08207180B2

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