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Hydrazine hydrate (1:1) → 4-p-tolylmethanesulfonyl-2H-pyrazol-3-ylamine

HRID 63767
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HRID 63767 반응식
C(N1C(C2C=CC=CC=2)CC(C)(C)[N:10]2[N:22]=CC(C(=O)CC3C=CC(C)=CC=3)=C12)C1C=CC=CC=1.C(O[CH:38]=[C:39]([S:42]([CH2:45][C:46]1[CH:51]=[CH:50][C:49]([CH3:52])=[CH:48][CH:47]=1)(=[O:44])=[O:43])[C:40]#[N:41])C.O.NN>C(O)C>[C:49]1([CH3:52])[CH:50]=[CH:51][C:46]([CH2:45][S:42]([C:39]2[CH:38]=[N:22][NH:10][C:40]=2[NH2:41])(=[O:44])=[O:43])=[CH:47][CH:48]=1
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참가 물질

5

반응물 3

HCID 24654Hydrazine hydrate (1:1)HCID 576320601-(4-Benzyl-7,7-dimethyl-5-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)-2-(4-methylphenyl)ethanoneHCID 68864576HCID 68864576, 화합물

생성물 1

HCID 688654214-p-tolylmethanesulfonyl-2H-pyrazol-3-ylamine

시약·촉매·용매 1

HCID 702Ethanol용매

실험 절차

7,7-Dimethyl-3-(4-methylbenzyl)sulfonyl)-5-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine (4): A slurry of 1.9 g (7.2 mmol) of 3 in 25 mL of ethanol was treated with 0.38 mL (7.9 mmol) of hydrazine monohydrate and heated to reflux for 3 h. The reaction was concentrated in vacuo to give crude 4-p-tolylmethanesulfonyl-2H-pyrazol-3-ylamine as a tan solid. The crude pyrazole, 1.3 g (7.9 mmol) of 3-methyl-1-phenyl-but-2-en-1-one and 2.8 mL (36 mmol) of trifluoroacetic acid was dissolved in 25 mL of 2-methoxyethanol and heated to reflux for 3 days. The reaction was then cooled to room temperature, concentrated in vacuo and dissolved in AcOEt. This solution was washed successively with saturated sodium bicarbonate, water and brine before being dried over sodium sulfate. The solution was filtered, concentrated in vacuo and the resulting crude material was purified by flash chromatography eluting with a 75 to 33% hexanes/AcOEt gradient to give 1.25 g (44%) of the title compound as a powder. 1H NMR (CDCl3) δ 1.67 (s, 6H), 2.13 (s, 3H), 4.26 (s, 2H), 4.81 (d, J=2.0 Hz, 1H), 6.39 (s, 1H), 7.05 (dd, J=8.0, 18.5 Hz, 4H), 7.20 (dd, J=3.7, 7.4 Hz, 2H), 7.36-7.39 (m, 3H), 7.52 (s, 1H). MS Calcd.: 393. Found: 394 (M+H).

후처리

  1. temperatureheated
  2. temperatureto reflux for 3 h
  3. concentrationThe reaction was concentrated in vacuo

출처 및 근거

ORD 기록
ord-261b25949b414c969ee5aff0651318b1
출처 데이터셋
uspto-grants-2016_09
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US09447100B2

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