Tag «NMR»

(2R,4R)-Methyl-2-tert-butyl-1,3-thiazolidine-3-formyl-4-carboxylate

  (2R,4R)-Methyl-2-tert-butyl-1,3-thiazolidine-3-formyl-4-carboxylate (18) the resulting crude was purified by flash chromatography on silica gel (eluted by 30–50% ethyl acetate in hexane). The collected fractions were evaporated and recrystallized from diethyl ether–hexanes (1:1, v/v) to afford N-formyl thazolidine 18 (300 g, 90% yield, 97% HPLC purity) as colorless crystals. 1H NMR (400 MHz, CDCl3, mixture of conformers (7:1), major): δ …

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Continuous-Flow Preparation of γ-Butyrolactone Scaffolds, 2-(5,5-dimethyl-2-oxotetrahydrofuran-3- yl)acetic acid

(5,5-dimethyl-2-oxotetrahydrofuran-3-yl)acetic acid 2-(5,5-Dimethyl-2-oxotetrahydrofuran-3-yl)acetic acid 2-carboxymethyl-4-methyl-4-pentanolide, Cas 412298-86-3       2-(5,5-Dimethyl-2-oxotetrahydrofuran-3-yl)acetic acid (4a). 1H NMR (DMSO-d6, 400 MHz): δ = 3.20 – 3.10 (m, 1H), 2.62 (dd, J = 17.1, 4.4 Hz, 1H), 2.54 – 2.45 (m, 1H), 2.31 – 2.21 (m, 1H), 1.84 (t, J = 12.0 Hz, 1H), 1.39 (s, 3H), 1.33 (s, 3H) …

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tert-Butyl 4-(2,3-diaminophenyl)piperazine-1- carboxylate

  tert-Butyl 4-(2,3-diaminophenyl)piperazine-1- carboxylate (4) 1H NMR (400 MHz, CDCl3), δ in ppm = 6.68 (t, 1H), 6.59 (d, J = 8.8 Hz, 1H), 6.55 (d, J = 7.6 Hz, 1H), 3.56 (br s, 8H), 2.83 (s, 4H), 1.49 (s, 9H). This is consistent with literature data.1 Small molecule piperazinyl-benzimidazole antagonists of the gonadotropin-releasing hormone …

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2,4-Diphenyl-2,3-dihydro-1,5-benzothiazepine

2,4-Diphenyl-2,3-dihydro-1,5-benzothiazepine (4a) 1,3-Diphenyl-2-propen-1-one (1a). Yellow solid; mp 114-116 C [lit.1 , 114-115 °C], AcOEt/PE 1:9. 1H NMR (300 MHz, CDCl3,): 3.07 (t, J = 12.6 Hz, 1 H), 3.32 (dd, J = 4.7, 13.1 Hz, 1 H), 4.99 (dd, J = 4.5, 12.0 Hz, 1 H), 7.12-7.17 (m, 1 H), 7.25-7.30 (m, 5 H), 7.44-7.51 …

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1,2-Bis(3-methoxyphenyl)benzene

1,2-Bis(3-methoxyphenyl)benzene (5)  1H NMR (500 MHz, DMSO-d6): δ 3.59 (s, 6H), 6.65 (dd, J = 2.5, 1.5 Hz, 2H), 6.70 (ddd, J = 7.5, 1.5, 1.0 Hz, 2H), 6.78 (ddd, J= 8.0, 2.5, 1.0 Hz, 2H), 7.16 (t, J = 8.0 Hz, 2H), 7.40–7.46 (m, 4H). 13C NMR (126 MHz, DMSO-d6): δ 54.8, 112.4, 115.0, 121.7, 127.7, 129.0, 130.2, 139.8, 142.4, 158.7. …

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(7R, 8S, 8′S, 7″S, 8″R)-abiesol A 4″-O-β-d-glucopyranoside, capselloside.

(7R, 8S, 8′S, 7″S, 8″R)-abiesol A 4″-O-β-d-glucopyranoside, and it was named capselloside. Capselloside (1): Brownish gum; [α]25D −34.0 (c = 0.05, MeOH); UV (MeOH) λmax (log ε) 280 (1.4), 228 (3.3), 214 (3.1) nm; IR (KBr) νmax 3261, 2946, 2816, 1638, 1489, 1261 cm−1; CD (MeOH) λmax (Δ ε) 291 (−), 280 (−) 257 (−) 230 (−) 223 (+); 1H (700 MHz) and 13C …

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2-pyrazolin-5-one

137-45-1 cas 3-Pyrazolin-5-one (8CI) Pyrazol-3(or 5)-ol (6CI,7CI) 1,2-Dihydro-3H-pyrazol-3-one 1,2-Dihydropyrazol-3-one 1H-Pyrazol-3-ol 1H-Pyrazol-5-ol 3-Hydroxypyrazole 3-Pyrazoline-5-one 3-Pyrazolone 4-Pyrazolin-3-one NSC 520837 Pyrazol-3-ol Pyrazol-5-ol   Compound 1: Under stirring, to a solution of 5.81 g (50 mmol) of methyl (2E)-3-methoxyacrylate in methanol (5 mL) was hydrazine hydrate (2.75 g, 55 mmol) added and the mixture was refluxed for 1h. Evaporation …

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