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Short-RInChIKey=SA-FUHFF-UHFFFADPSC-KDOYCAADBI-UHFFFADPSC-NUHFF-NUHFF-NUHFF-ZZZ
No full textTo a suspension of 5-methylresorcinol;hydrate (500 mg, 3.52 mmol, 1.00 equiv) in dichloromethane (5.00 mL), N,N-diethylethanamine (1.78 g, 2.45 mL, 17.6 mmol, 5.00 equiv) was added. The reaction mixture was cooled to 0 °C and acetic anhydride (1.08 g, 997 μL, 10.6 mmol, 3.00 equiv) was slowly added and stirred for 16 hours at 21 °C. For work up, the reaction mixture was diluted with water and extracted three times with methylene chloride. The combined organic phase was dried over Na2SO4 and filtered
infrared absorption spectroscopy (IR) (2-(4-methoxyphenyl)pyridine)
No full textdataset for infrared absorption spectroscopy (IR)
IR (ATR, ṽ) = 3050 (w), 2996 (m), 2961 (w), 2936 (w), 2915 (w), 2836 (w), 1601 (m), 1579 (s), 1561 (m), 1513 (s), 1459 (s), 1431 (s), 1303 (m), 1272 (m), 1242 (vs), 1176 (vs), 1152 (s), 1112 (s), 1057 (m), 1035 (s), 1020 (vs), 1006 (s), 987 (s), 973 (m), 837 (vs), 805 (m), 776 (vs), 737 (vs), 717 (vs), 637 (m), 620 (m), 578 (s), 555 (s), 526 (m), 487 (s), 418 (m), 399 (s), 377 (w) cm–1
13C nuclear magnetic resonance spectroscopy (13C NMR) ()
No full textdataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
13C NMR (100 MHz, Chloroform-d [77.2 ppm], ppm) δ = 160.6 (1C, C-8), 158.6 (1C, C-10), 149.2 (1C, C-6), 134.1 (1C, C-1), 127.4 (1C, C-5), 126.0 (1C, C-4), 121.3 (1C, C-2), 120.2 (1C, C-3), 49.4 (1C, C-7), 39.8 (2C, C-9), 39.7 (4C, C-11), 39.1 (2C, C-9)
1H nuclear magnetic resonance spectroscopy (1H NMR) (4-chlorobenzaldehyde)
No full textdataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
1H NMR (400 MHz, DMSO-d6 [2.50 ppm], ppm) δ = 10.01 (s, 1H), 7.95–7.91 (m, 2H), 7.70–7.67 (m, 2H)
1H nuclear magnetic resonance spectroscopy (1H NMR) (1-pyridin-2-ylethanone)
No full textdataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
1H NMR (400 MHz, Chloroform-d [7.26 ppm], ppm) δ = 8.67 (dt, J = 2.8 Hz, J = 1.6 Hz, 1H), 8.03 (dt, J = 7.9 Hz, J = 1.1 Hz, 1H), 7.81 (td, J = 7.8 Hz, J = 1.6 Hz, 1H), 7.45 (ddd, J = 7.5 Hz, J = 4.8 Hz, J = 1.0 Hz, 1H), 2.71 (s, 3H)
1H--13C heteronuclear single quantum coherence (1H-13C HSQC) (1-pyridin-2-ylethanone)
No full textdataset for 1H--13C heteronuclear single quantum coherence (1H-13C HSQC
distortionless enhancement with polarization transfer (DEPT) ()
No full textdataset for distortionless enhancement with polarization transfer (DEPT
heteronuclear multiple bond coherence (HMBC) ()
No full textdataset for heteronuclear multiple bond coherence (HMBC
heteronuclear single quantum coherence (HSQC) ()
No full textdataset for heteronuclear single quantum coherence (HSQC
Short-RInChIKey=SA-FUHFF-UHFFFADPSC-VYAIIDYJDV-UHFFFADPSC-NUHFF-NUHFF-NUHFF-ZZZ
No full text(E)-1-benzyl-3-(3,3-diisopropyltriaz-1-en-1-yl)-1H-pyrazole (522 mg, 1.83 mmol, 1.00 equiv) was dissolved in methylene chloride (30.0 mL). The solution was cooled to 0 °C and then azido(trimethyl)silane (1.58 g, 1.82 mL, 13.7 mmol, 7.50 equiv) and 2,2,2-trifluoroacetic acid (2.08 g, 1.40 mL, 18.3 mmol, 10.0 equiv) were added. The reaction mixture was slowly warmed to 50 °C while constantly being stirred. The reaction progress was monitored via TLC and the reaction was finished after 16 hours of stirring at 50 °C