A New Method for the Preparation of Pyridazine Systems: Experimental Data and Semiempirical PM3 Calculations

Dilek ÜNAL; Emin SARIPINAR; Yunus AKÇAMUR

Makale detayları

A New Method for the Preparation of Pyridazine Systems: Experimental Data and Semiempirical PM3 Calculations

Yazarlar:

Dilek ÜNAL | Emin SARIPINAR | Yunus AKÇAMUR

Yayıncı:

TUBITAK

Dergi:

Turkish Journal of Chemistry 2006 Vol.30 Issue 6, pp.691-701

Belge Tipi:

Makale

Yayın Tarihi:

5/2006

Belge Dili:

Türkçe

Document ID (Org No.):

2000728808

Sıklık:

İki Aylık

eISSN:

1303-6130

pISSN:

1300-0527

Özet:

 

The reactions of 4-benzoyl-5-phenyl-2,3-furandione (1a) and  4-(4-methoxybenzoyl)-5-(4-methoxyphenyl)-2,3-furandione (1b) with acyl  hydrazines (2) (namely hydrazides) are reported.  From these  reactions, novel pyridazinone systems (3a-g) are obtained as well as  the cyclization product of 3g at high temperature (4).  The electronic  properties and conformational parameters for these molecules, such as  bond lengths, bond angles, torsion angles and atom charges, are  calculated with a semiempirical PM3 method.  In order to determine the  mechanism of the reaction between the model furandion (R1) and formic  hydrazide (R2), the electronic properties, conformational parameters  and imaginary frequencies of the reactants, transition states and  intermediates are calculated at the same level of theory as well.

 

The reactions of 4-benzoyl-5-phenyl-2,3-furandione (1a) and  4-(4-methoxybenzoyl)-5-(4-methoxyphenyl)-2,3-furandione (1b) with acyl  hydrazines (2) (namely hydrazides) are reported.  From these  reactions, novel pyridazinone systems (3a-g) are obtained as well as  the cyclization product of 3g at high temperature (4).  The electronic  properties and conformational parameters for these molecules, such as  bond lengths, bond angles, torsion angles and atom charges, are  calculated with a semiempirical PM3 method.  In order to determine the  mechanism of the reaction between the model furandion (R1) and formic  hydrazide (R2), the electronic properties, conformational parameters  and imaginary frequencies of the reactants, transition states and  intermediates are calculated at the same level of theory as well.

Makale detayları

A New Method for the Preparation of Pyridazine Systems: Experimental Data and Semiempirical PM3 Calculations

Yazarlar: Dilek ÜNAL | Emin SARIPINAR | Yunus AKÇAMUR

Yayıncı: TUBITAK

Dergi: Turkish Journal of Chemistry 2006 Vol.30 Issue 6, pp.691-701

Belge Tipi: Makale

Yayın Tarihi: 5/2006

Belge Dili: Türkçe

Document ID (Org No.): 2000728808

Sıklık: İki Aylık

eISSN: 1303-6130

pISSN: 1300-0527

Sayı

Yazarlar:

Dilek ÜNAL | Emin SARIPINAR | Yunus AKÇAMUR

Yayıncı:

TUBITAK

Dergi:

Turkish Journal of Chemistry 2006 Vol.30 Issue 6, pp.691-701

Belge Tipi:

Makale

Yayın Tarihi:

5/2006

Belge Dili:

Türkçe

Document ID (Org No.):

2000728808

Sıklık:

İki Aylık

eISSN:

1303-6130

pISSN:

1300-0527