PM3 structures and thermal reactivities of five-membered 2-azidoheteroaryls

被引：0

作者：

Zanirato, P ^{[1
]}

机构：

[1] Univ Bologna, Dipartimento Chim Organ A Mangini, I-40136 Bologna, Italy

来源：

GAZZETTA CHIMICA ITALIANA | 1997年 / 127卷 / 07期

关键词：

D O I：

暂无

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

The peculiar low-energy fragmentation and ring-opening process experimentally observed for 2-azido-thiophene and -selenophene is analyzed by means of transition state(s) search at PM3 level, which qualitatively provides a reasonable description of energy-related and structural changes involved.

引用

页码：339 / 342

页数：4

共 18 条

[1]

[Anonymous], CHEM FUNCTIONAL GROU

[2] RING-OPENING OF 5-MEMBERED HETEROAROMATIC AZIDES AND NITRENES [J].

DEHAEN, W ;

BECHER, J .

ACTA CHEMICA SCANDINAVICA, 1993, 47 (03) :244-254

[3] THE SEMIEMPIRICAL APPROACH TO CHEMISTRY [J].

DEWAR, MJS .

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1992, 44 (04) :427-447

[4] SYNTHESIS AND THERMAL RING-CLEAVAGE FRAGMENTATION OF 2-AZIDO-1-METHYLINDOLE AND 2-AZIDOBENZO[B]FURAN [J].

FORESTI, E ;

SPAGNOLO, P ;

ZANIRATO, P .

JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 1, 1989, (07) :1354-1356

[5]

FORESTI E, 1995, GAZZ CHIM ITAL, V125, P151

[6] INTRAMOLECULAR CYCLIZATIONS AND RING-CLEAVAGE REACTIONS OF 5-MEMBERED HETEROARYLNITRENES AND THEIR PRECURSORS [J].

FUNICELLO, M ;

SPAGNOLO, P ;

ZANIRATO, P .

ACTA CHEMICA SCANDINAVICA, 1993, 47 (03) :231-243

[7] PREPARATION, REACTIVITY, NMR PROPERTIES AND SEMIEMPIRICAL MNDO/PM3 STRUCTURAL CALCULATIONS OF 2-AZIDO-SELENOPHENE AND 3-AZIDO-SELENOPHENE [J].

GRONOWITZ, S ;

ZANIRATO, P .

JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 2, 1994, Royal Soc of Chemistry, Letchworth, Engl (08) :1815-1819

[8]

Kyba E. P., 1984, Azides and Nitrenes-Reactivity and Utility

[9] AZIDES - THEIR PREPARATION AND SYNTHETIC USES [J].

SCRIVEN, EFV ;

TURNBULL, K .

CHEMICAL REVIEWS, 1988, 88 (02) :297-368

[10] HOW CAN QUANTUM-CHEMICAL CALCULATIONS CONTRIBUTE TO THE ELUCIDATION OF CHEMICAL-REACTIONS - SOME THEORY AND EXAMPLES [J].

SKANCKE, PN .

ACTA CHEMICA SCANDINAVICA, 1993, 47 (07) :629-648

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