✦ LIBER ✦

The tautomerism of 1H-pyrazole-3(5)-(N-tert-butyl)carboxamide in the solid state and in solution

✍ Scribed by Rosa M. Claramunt; M. Ángeles García; Concepción López; Swiatoslaw Trofimenko; Glenn P. A. Yap; Ibon Alkorta; José Elguero

Publisher: John Wiley and Sons
Year: 2004
Tongue: English
Weight: 130 KB
Volume: 43
Category: Article
ISSN: 0749-1581
DOI: 10.1002/mrc.1481

No coin nor oath required. For personal study only.

✦ Synopsis

Abstract

The X‐ray crystal structure of 1__H__‐pyrazole‐3‐(N‐tert‐butyl)‐carboxamide was determined. In the solid state, the ^13^C and ^15^N CP/MAS NMR spectra correspond to this tautomer. In solution, both tautomers are present in a ratio that depends on the temperature (at 293 K, 90% 3‐substituted/10% 5‐substituted). Some unusual ^1^H, ^1^H couplings involving the NH proton were observed. DFT (GIAO) calculations were carried out. Copyright © 2004 John Wiley & Sons, Ltd.

📜 SIMILAR VOLUMES

Conformation in the Solid State and in S

Conformation in the Solid State and in Solution of 3,3′(4H,4′H)-Spirobi[2H-1,5-benzodioxepin]

✍ Grochowski, Jacek ;Rutkowska, Maria ;Rys, Barbara ;Serda, Pavel ;Snatzke, Günthe 📂 Article 📅 1992 🏛 Wiley (John Wiley & Sons) 🌐 English ⚖ 484 KB 👁 1 views

A 1H, 13C and 15N NMR study in solution

A 1H, 13C and 15N NMR study in solution and in the solid state of six N-substituted pyrazoles and indazoles

✍ Rosa M. Claramunt; M. Dolores Santa María; Dionisia Sanz; Ibon Alkorta; José Elg 📂 Article 📅 2006 🏛 John Wiley and Sons 🌐 English ⚖ 177 KB

## Abstract Three __N__‐substituted pyrazoles and three __N__‐substituted indazoles [1‐(4‐nitrophenyl)‐3,5‐dimethylpyrazole (1), 1‐(2,4‐dinitrophenyl)‐3,5‐dimethylpyrazole (2), 1‐tosyl‐pyrazole (3), 1‐__p__‐chlorobenzoylindazole (4), 1‐tosylinda‐zole (5) and 2‐(2‐hydroxy‐2‐phenylethyl)‐indazole (6)

ChemInform Abstract: Structure and Tauto

ChemInform Abstract: Structure and Tautomerism of 3(5)-Amino-5(3)-arylpyrazoles in the Solid State and in Solution: An X-Ray and NMR Study.

✍ J. Q. PUELLO; B. I. OBANDO; C. FOCES-FOCES; L. INFANTES; R. M. CLARAMUNT; P. CAB 📂 Article 📅 2010 🏛 John Wiley and Sons ⚖ 29 KB 👁 1 views

Structure and Tautomerism of 3(5)-Amino-5(3)-arylpyrazoles in the Solid State and in Solution: An X-Ray and NMR Study. -The crystal and molecular structures of 5 examples of the title compounds are determined by X-ray analysis. The tautomer (I) is present for R: -H, -O-Me and -Cl, while the tautome

ChemInform Abstract: Reactivity of 3,5-D

ChemInform Abstract: Reactivity of 3,5-Di-tert-butyl-4-hydroxybenzaldehyde, 3,5-Di-tert- butyl-4-hydroxybenzylalcohol and 3,5-Di-tert-butyl-4-hydroxybenzyl Methyl Ether in the Oxidation with Oxygen in Alkaline Solutions.

✍ T. G. FEDULINA; V. P. KLINDUKHOV 📂 Article 📅 2010 🏛 John Wiley and Sons ⚖ 26 KB 👁 1 views

Structure of 3-nitropyrazole in solution

Structure of 3-nitropyrazole in solution and in the solid state

✍ Concepcion Foces-Foces; Antonio L. Llamas-Saiz; Margarita Menéndez; Nadine Jager 📂 Article 📅 1997 🏛 John Wiley and Sons 🌐 English ⚖ 153 KB 👁 2 views

The molecular and crystal structure of 3-nitropyrazole was determined by X-ray analysis. The triclinic unit cell contains 12 molecules which form four hydrogen-bonded (N-H•••N) trimers. Each trimer comprises of pseudo-ring in a flattened envelope distorted towards a chair conformation. The crystal p

Basicity of N-H- and N-Methyl-1,2,3-tria

Basicity of N-H- and N-Methyl-1,2,3-triazoles in the Gas Phase, in Solution, and in the Solid State − An Experimental and Theoretical Study

✍ José-Luis M. Abboud; Concepción Foces-Foces; Rafael Notario; Rostislav E. Trifon 📂 Article 📅 2001 🏛 John Wiley and Sons 🌐 English ⚖ 483 KB 👁 2 views