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Short-RInChIKey=SA-FUHFF-UHFFFADPSC-BZRWHBSLSA-UHFFFADPSC-NUHFF-NUHFF-NUHFF-ZZZ
No full textEthyl (E)-1-(3,5-difluorobenzyl)-3-(3,3-diisopropyltriaz-1-en-1-yl)-1H-pyrazole-4-carboxylate (214 mg, 544 μmol, 1.00 equiv) was dissolved in methylene chloride (13.0 mL). The solution was cooled to 0 °C and then azido(trimethyl)silane (470 mg, 542 μL, 4.08 mmol, 7.50 equiv) and 2,2,2-trifluoroacetic acid (621 mg, 417 μL, 5.44 mmol, 10.00 equiv) were added. The reaction mixture was slowly warmed to 50 °C while constantly being stirred. The reaction progress was monitored via TLC (16 h)
heteronuclear single quantum coherence (HSQC) ()
No full textdataset for heteronuclear single quantum coherence (HSQC
1H nuclear magnetic resonance spectroscopy (1H NMR) ()
No full textdataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
1H NMR (400 MHz, Chloroform-d [7.27 ppm], ppm) δ = 7.71 (s, 1H), 6.86–6.76 (m, 3H), 5.19 (s, 2H)
distortionless enhancement with polarization transfer (DEPT) ()
No full textdataset for distortionless enhancement with polarization transfer (DEPT
heteronuclear single quantum coherence (HSQC) ()
No full textdataset for heteronuclear single quantum coherence (HSQC
distortionless enhancement with polarization transfer (DEPT) ()
No full textdataset for distortionless enhancement with polarization transfer (DEPT
mass spectrometry (MS) ()
No full textdataset for mass spectrometry (MS)
MS (EI, 70 eV, 140 °C), m/z (%): 279 (1) [M]+, 192 (74), 181 (13), 164 (100), 155 (15), 146 (15), 135 (39), 110 (35), 55 (25).HRMS–EI (C11H13O4N5) (m/z): [M]+ Calcd 279.0962; Found 279.0961
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
mass spectrometry (MS) ()
No full textdataset for mass spectrometry (MS)
MS (EI, 70 eV, 110 °C), m/z (%): 393 (17) [M]+, 293 (100), 237 (12), 140 (11), 127 (84), 100 (42), 58 (12).HRMS–EI (C19H25O2N5F2) (m/z): [M]+ Calcd 393.1971; Found 393.1969