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(+-)-Mercaptosuccinic acid → [3-(2-Carbamoyl-ethyl)-4-oxo-2-(5-phenylethynyl-thiophen-2-yl)-thiazolidin-5-yl]-acetic acid

HRID 2230805
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Druckvorschau

Reaktionsgleichung

Reaktionsgleichung von HRID 2230805
Cl.[NH2:2][CH2:3][CH2:4][C:5]([NH2:7])=[O:6].[C:8]1([C:14]#[C:15][C:16]2[S:20][C:19]([CH:21]=O)=[CH:18][CH:17]=2)[CH:13]=[CH:12][CH:11]=[CH:10][CH:9]=1.[SH:23][CH:24]([CH2:28][C:29]([OH:31])=[O:30])[C:25](O)=[O:26].C(N(C(C)C)CC)(C)C>C(#N)C>[C:5]([CH2:4][CH2:3][N:2]1[C:25](=[O:26])[CH:24]([CH2:28][C:29]([OH:31])=[O:30])[S:23][CH:21]1[C:19]1[S:20][C:16]([C:15]#[C:14][C:8]2[CH:9]=[CH:10][CH:11]=[CH:12][CH:13]=2)=[CH:17][CH:18]=1)(=[O:6])[NH2:7]
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Komponenten

6

Edukt 4

HCID 6268(+-)-Mercaptosuccinic acidHCID 81531DiisopropylethylamineHCID 27371405-(Phenylethynyl)thiophene-2-carbaldehydeHCID 222222883-Aminopropanamide hydrochloride

Produkt 1

HCID 86758382[3-(2-Carbamoyl-ethyl)-4-oxo-2-(5-phenylethynyl-thiophen-2-yl)-thiazolidin-5-yl]-acetic acid

Reagenzien, Katalysatoren, Lösungsmittel 1

HCID 6342AcetonitrileLösungsmittel

Versuchsvorschrift

A mixture of β-alanine amide hydrochloride (3.11 g, 25 mmol), 5-(phenylethynyl)thiophene-2-carboxaldehyde (5.31 g, 25 mmol), mercaptosuccinic acid (11.26 g, 75 mmol) and diisopropylethylamine (3.6 g, 27.5 mmol) was stirred in acetonitrile (300 mL) at reflux for forty eight hours. The solvent was evaporated and the residue was shaken with 2 N HCl (500 mL) and ethyl acetate (3×200 mL) The ethyl acetate solution was washed with water then brine and dried (MgSO4) and evaporated. The product was purified on a 600 mL. silica dry column by elution with dichloromethane:acetic acid (99:1) followed by dichloromethane:methanol:acetic acid (95:5:1). The appropriate fractions were evaporated. The residue was washed with ether and dried to provide the title compound as a white solid: (2.44 g, 23.5%): m.p. 175-178. 1H-NMR (DMSO-d6) δ 12.6 (broad, 1H), 7.56-7.57 (d, 1H, J=2.4 Hz), 7.54-7.55 (d, 1H, J=3.6 Hz), 7.4-7.46 (m, 4H), 7.28-7.32 (m, 2H), 6.90(s, 1H), 6.15 (s, 0.5 H), 6.12-6.13 (d, 0.5H, J=1.6 Hz), 4.24-4.28 (m, 1H), 4.15-4.19 (dd, 0.5H, J=3.6 Hz), 2.97-3.09 (m, 1H), 2.64-2.74 (m, 1H), 2.36-2.46 (m, 1H), 2.08-2.21 (m, 1H); MS(ESI) 413[M-H], 415[M+H]. Analytical HPLC; Capcell Pak C18, 30% acetonitrile: 70% 0.1% aqueous TFA.51 trans: 49 cis. FTIR (ATR) 1650, 1720 cm−1. Anal. (C20H18N2O4S2) calc. C, 57.95; H, 4.38; N, 6.76. obs. C, 57.59; H, 4.34; N, 6.56.

Aufarbeitung

  1. temperatureat reflux for forty eight hours
  2. customThe solvent was evaporated
  3. washwas washed with water
  4. dry with materialbrine and dried (MgSO4)
  5. customevaporated
  6. customThe product was purified on a 600 mL
  7. customsilica dry column
  8. washby elution with dichloromethane:acetic acid (99:1)
  9. customThe appropriate fractions were evaporated
  10. washThe residue was washed with ether
  11. customdried

Quellen und Nachweise

ORD-Eintrag
ord-5122c6a9535b45f09804b58dd454ccf1
Quelldatensatz
uspto-grants-2002_07
DOI
10.6084/m9.figshare.5104873.v1
Patentnummer
US06426357B1

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