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Short-RInChIKey=SA-FUHFF-UHFFFADPSC-KCAXRYJMUF-UHFFFADPSC-NUHFF-NUHFF-NUHFF-ZZZ
No full textEthyl (E)-1-benzyl-3-(3,3-diisopropyltriaz-1-en-1-yl)-1H-pyrazole-4-carboxylate (137 mg, 382 μmol, 1.00 equiv) was dissolved in methylene chloride (10.0 mL). The solution was cooled to 0 °C and then azido(trimethyl)silane (330 mg, 380 μL, 2.87 mmol, 7.50 equiv) and 2,2,2-trifluoroacetic acid (436 mg, 293 μL, 3.82 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. After full conversion (16 h), the solvent was reduced under vacuum
1H nuclear magnetic resonance spectroscopy (1H NMR) (3-azido-1-propan-2-ylpyrazole-4-carbonitrile)
No full textdataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
1H NMR (400 MHz, Chloroform-d [7.27 ppm], ppm) δ = 7.69 (s, 1H), 4.40 (sept, J = 6.6 Hz, 1H), 1.51 (d, J = 6.8 Hz, 6H)
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
infrared absorption spectroscopy (IR) ()
No full textdataset for infrared absorption spectroscopy (IR)
IR (ATR, ṽ) = 3143 (w), 3131 (w), 3106 (w), 2958 (w), 2924 (w), 2223 (m), 1768 (m), 1713 (vs), 1605 (s), 1588 (s), 1568 (w), 1555 (s), 1540 (s), 1510 (vs), 1483 (w), 1466 (w), 1435 (m), 1398 (vs), 1366 (vs), 1344 (vs), 1319 (s), 1309 (s), 1273 (m), 1224 (vs), 1210 (m), 1191 (s), 1111 (s), 1085 (s), 1043 (vs), 1023 (m), 1011 (m), 994 (m), 956 (vs), 942 (vs), 892 (w), 843 (s), 834 (vs), 813 (vs), 793 (m), 751 (s), 720 (s), 711 (vs), 687 (m), 625 (vs), 582 (w), 568 (m), 548 (vs), 530 (vs), 500 (w), 482 (w), 473 (w), 439 (w), 419 (m), 409 (m), 399 (m), 387 (w), 375 (m) cm–1
distortionless enhancement with polarization transfer (DEPT) ()
No full textdataset for distortionless enhancement with polarization transfer (DEPT
Short-RInChIKey=SA-FUHFF-UHFFFADPSC-KIQBPEXSAZ-UHFFFADPSC-NUHFF-NUHFF-NUHFF-ZZZ
No full text(E)-4-(3-(3,3-Diisopropyltriaz-1-en-1-yl)-5-methyl-1H-pyrazol-1-yl)benzonitrile (134 mg, 431 μmol, 1.00 equiv) was dissolved in methylene chloride (10.0 mL). The solution was cooled to 0 °C and then azido(trimethyl)silane (372 mg, 429 μL, 3.23 mmol, 7.50 equiv) and 2,2,2-trifluoroacetic acid (492 mg, 330 μL, 4.31 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 (3 h)
infrared absorption spectroscopy (IR) ()
No full textdataset for infrared absorption spectroscopy (IR)
IR (ATR, ṽ) = 2969 (m), 2953 (m), 2918 (m), 2868 (w), 2849 (w), 1519 (w), 1462 (s), 1415 (vs), 1381 (s), 1363 (vs), 1315 (w), 1252 (vs), 1222 (vs), 1203 (m), 1157 (vs), 1126 (s), 1101 (s), 1074 (m), 1045 (s), 1023 (vs), 941 (m), 905 (s), 860 (w), 837 (w), 761 (vs), 731 (m), 720 (m), 688 (w), 653 (m), 594 (m), 574 (w), 557 (s), 527 (m), 436 (w), 399 (w) cm–1
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