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1-Isopropylpiperazine → HCID 57618998、化合物

HRID 572023
ノート
印刷プレビュー

反応式

HRID 572023 の反応式
[CH3:1][N:2]1[CH:6]=[C:5](/[CH:7]=[CH:8]/[C:9]([OH:11])=O)[CH:4]=[N:3]1.[CH:12]([N:15]1[CH2:20][CH2:19][NH:18][CH2:17][CH2:16]1)([CH3:14])[CH3:13].CN(C(ON1N=NC2C=CC=NC1=2)=[N+](C)C)C.F[P-](F)(F)(F)(F)F>CN(C=O)C.C([O-])(O)=O.[Na+]>[CH:12]([N:15]1[CH2:20][CH2:19][N:18]([C:9](=[O:11])/[CH:8]=[CH:7]/[C:5]2[CH:4]=[N:3][N:2]([CH3:1])[CH:6]=2)[CH2:17][CH2:16]1)([CH3:14])[CH3:13]
参加物実験手順後処理出典と根拠反応ノート

参加物

6

反応物 3

HCID 780131-IsopropylpiperazineHCID 1529858(2E)-3-(1-methyl-1H-pyrazol-4-yl)prop-2-enoic acidHCID 9886157Methanaminium, N-((dimethylamino)(3H-1,2,3-triazolo(4,5-b)pyridin-3-yloxy)methylene)-N-methyl-, hexafluorophosphate(1-) (1:1)

生成物 1

HCID 57618998HCID 57618998、化合物収率 48.3%

試薬・触媒・溶媒 2

HCID 6228Dimethylformamide
溶媒
HCID 516892Sodium Bicarbonate溶媒

実験手順

(E)-3-(1-methyl-1H-pyrazol-4-yl)acrylic acid (913 mg, 6.00 mmol) and 1-isopropylpiperazine (1539 mg, 12.00 mmol) were dissolved in anhydrous DMF (12 mL) then HATU (2282 mg, 6.00 mmol) was added and the resulting reaction mixture was stirred over night at RT. The reaction mixture was diluted with concentrated aq. NaHCO3 and extracted with EtOAc (4×80 ml). The organic phases were combined, dried over anhydrous Na2SO4, filtered and concentrated under reduced pressure to give 760 mg 45A (48.3% yield) as a yellow oil residue. 45A was used directly in the next step with out further purification. 1H NMR (400 MHz, DMSO-d6) δ ppm 0.97 (d, J=6.64 Hz, 6H) 2.42 (br. s., 4H) 2.63-2.75 (m, 1H) 3.60 (br. s., 5H) 3.82 (s, 4H) 6.92 (d, J=15.23 Hz, 1H) 7.36 (d, J=15.23 Hz, 1H) 7.84 (s, 1H) 8.03 (s, 1H), ES[M+H]+=263.26

後処理

  1. customthe resulting reaction mixture
  2. extractionextracted with EtOAc (4×80 ml)
  3. dry with materialdried over anhydrous Na2SO4
  4. filtrationfiltered
  5. concentrationconcentrated under reduced pressure

出典と根拠

ORDレコード
ord-cebc04a1979846eea096906585e328ca
出典データセット
uspto-grants-2015_05
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US09029381B2

反応ノート

読み込み中…

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