A theoretical study on basicity behaviour of some 4-aminoquinazoline derivatives

Funda TAY; Taner ARSLAN

Makale detayları

A theoretical study on basicity behaviour of some 4-aminoquinazoline derivatives

Yazarlar:

Funda TAY | Taner ARSLAN

Yayıncı:

Eskisehir Technical University

Dergi:

Anadolu University Journal of Science and Technology B - Theoretical Sciences 2011 Vol.1 Issue 2, pp.141-148

Belge Tipi:

Makale

Yayın Tarihi:

4/2011

Belge Dili:

İngilizce

Document ID (Org No.):

2000417805

pISSN:

2667-419X

Özet:

 

  The acidity constants (Ka) of some 6-substitue-4-aminoquinazoline compounds were investigated theoretically. The gas and aqueous phase geometries and the possible tautomeric forms were defined with full geometry optimization by using B3LYP/6-31G(d) method for 6-substitue-4-aminoquinazoline  derivatives. It was found that most stable forms are amino form and the first protonation occurs at ring nitrogen atom(N1).

Makale detayları

A theoretical study on basicity behaviour of some 4-aminoquinazoline derivatives

Yazarlar: Funda TAY | Taner ARSLAN

Yayıncı: Eskisehir Technical University

Dergi: Anadolu University Journal of Science and Technology B - Theoretical Sciences 2011 Vol.1 Issue 2, pp.141-148

Belge Tipi: Makale

Yayın Tarihi: 4/2011

Belge Dili: İngilizce

Document ID (Org No.): 2000417805

pISSN: 2667-419X

Sayı

Yazarlar:

Funda TAY | Taner ARSLAN

Yayıncı:

Eskisehir Technical University

Dergi:

Anadolu University Journal of Science and Technology B - Theoretical Sciences 2011 Vol.1 Issue 2, pp.141-148

Belge Tipi:

Makale

Yayın Tarihi:

4/2011

Belge Dili:

İngilizce

Document ID (Org No.):

2000417805

pISSN:

2667-419X