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Short-RInChIKey=SA-FUHFF-UHFFFADPSC-ULFYVYLJMD-UHFFFADPSC-NUHFF-NCZPI-NUHFF-ZZZ
No full textThe information given below was retrieved and reworked from the publication: Modular Syntheses of Diversonol-Type Tetrahydroxanthone Mycotoxins: Blennolide C (epi-Hemirugulotrosin A) and Analogues by Emilie M. C. Gérard and Stefan Bräse. 10.1002/chem.200801507To a solution of 1.88 g of cis- 8-methoxy-4-(2-methoxy-ethoxymethoxy-)-6-methyl-2,3,4,4a-tetrahydroxanthen-1-one (5.40 mmol, 1.00 equiv.) in a 1:1 mixture of tetrahydrofuran (16.0 mL) and water (16.0 mL) was slowly added 5.21 g of tetrabutylammonium tribromide (10.8 mmol, 2.00 equiv.). The resulting orange solution was stirred at room temperature for 16 hours, quenched with water (20 mL) and extracted with dichloromethane (3 × 10 mL). The combined organic layers were washed with brine (20 mL), dried over sodium sulfate, filtered and evaporated under vacuum. The crude product was purified by column chromatography (cyclohexane/ethyl acetate, 2:1). Cis-7,9a-dibromo-9-hydroxy-8-methoxy-4-((2-methoxyethoxy)methoxy)-6-methyl-2,3,4,4a,9,9a-hexahydro-1H-xanthen-1-one was obtained in 62% yield (1.73 g) as a white solid.Analysis of the target compound: Mp = 133-135 °C – Rf = 0.20 (CH/EE, 2:1). – 1H-NMR (400 MHz, CDCl3): δ = 1.72 – 1.83 (m, 1 H, CH2), 2.27 – 2.34 (m, 1 H, CH2), 2.40 (s, 3 H, CH3), 2.51 (ddd, 2J = 15.8 Hz, 3J = 4.5 Hz, 3J = 2.5 Hz, 1 H, CH2), 3.34 – 3.42 (m, 2 H, CH2 and OH), 3.43 (s, 3 H, OCH3), 3.59–3.67 (m, 2 H, O-CH2-CH2-O), 3.83 – 3.93 (m, 2 H, O-CH2-CH2-O), 3.85 (s, 3 H, OCH3), 4.32 (d, 3J = 9.1 Hz, 1 H, H-4a), 4.54 (ddd, 3J = 11.4 Hz, 3J = 9.1 Hz, 3J = 4.8 Hz, 1 H, H-4), 4.99 (d, 2J = 7.1 Hz, 1 H, O-CH2-O), 5.36 (s, 1 H, H-9), 5.37 (d, 2J = 7.1 Hz, 1 H, O-CH2-O), 6.47 (s, 1 H, Harom.). – 13C-NMR (100 MHz, CDCl3): δ = 23.7(+, CH3), 26.4 (–, CH2), 34.6 (–, CH2), 55.9 (+, OCH3), 59.1 (+, OCH3), 62.4 (Cquart.), 64.1 (+, CH), 67.2 (–, O-CH2-CH2-O), 71.8 (–,O-CH2-CH2-O), 72.3 (+, C-4), 76.0 (+, C-4a), 95.5 (–, O-CH2-O), 104.0 (Cquart.), 105.8 (+, CHarom.), 108.4 (Cquart.), 140.4 (Cquart.), 149.7 (Cquart.), 157.3 (Cquart.), 201.3 (C-1)
Short-RInChIKey=SA-FUHFF-UHFFFADPSC-TZKIRFQAWQ-UHFFFADPSC-NUHFF-LUHFF-NUHFF-ZZZ
No full textDiphenyl(2-pyridyl)phosphine (1.0 g, 3.80 mmol, 3.00 equiv), CuI (241 mg, 1.26 mmol, 1.00 equiv) and AgI (297 mg, 1.26 mmol, 1.00 equiv) were suspended in 15 mL of acetonitrile. The reaction mixture was degassed with Ar for 5 min and stirred for 24 h at 25 °C. The light-yellow solid was filtered off, washed with acetonitrile (2 × 25 mL) and dried in vacuo in the dark to afford the product AgCuI2(PyrPhos)3 (730 mg, 601 μmol, 48% yield). Yields are calculated considering a ratio 1:1 between Ag(I) and Cu(I). The complex was crystallized from the slow diffusion of n-pentane into an acetonitrile solution
distortionless enhancement with polarization transfer (DEPT) ()
No full textdataset for distortionless enhancement with polarization transfer (DEPT
infrared absorption spectroscopy (IR) ()
No full textdataset for infrared absorption spectroscopy (IR
mass spectrometry (MS) (1-methyl-4-[(E)-2-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)ethenyl]pyridin-1-ium;iodide)
No full textdataset for mass spectrometry (MS
1H nuclear magnetic resonance spectroscopy (1H NMR) ()
No full textdataset for 1H nuclear magnetic resonance spectroscopy (1H NMR
1H--13C heteronuclear single quantum coherence (1H-13C HSQC) ()
No full textdataset for 1H--13C heteronuclear single quantum coherence (1H-13C HSQC