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1H, 13C and 15N NMR spectra of [1,2-15N2]pyrazole derivatives

✍ Scribed by Alain Fruchier; Valdo Pellegrin; Rosa Maria Claramunt; Jose Elguero

Publisher
John Wiley and Sons
Year
1984
Tongue
English
Weight
199 KB
Volume
22
Category
Article
ISSN
0749-1581

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✦ Synopsis

REFERENCE DATA

carbons, for various substituent groups and positions were carried out by gated decoupling with NOE.

RESULTS AND DISCUSSION

The I3C NMR chemical shifts of the compounds are shown in Tables 123; 'J(CH) and long-range coupling constants of 2, 9, 13 and 18, measured by gated decoupling with NOE, are shown in Tables 4 and5 , respectively. The 'J(CH) values of C-4, C-5 , C-6, C-7 and C-8 were within the range 160.0-162.5 Hq3 but the 'J(C-3, H) value is larger because of the neighbouring N atom. 'J(CH) is closely related to the s-character of the carbon nuclei. The quaternary carbons C-4a, C-4b, C-8a and C-8b were assigned from the change in splitting patterns on the introduction of an appropriate substituent at C-1, C-3, C-4 or C-8 (Table 5) and the high-field shift produced by a methoxy group in the a-position.

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