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Min Zhang¹, Ran-Zhe Lu, Lu-Na Han

¹College of Science, Nanjing University of Technology, Xinmofan Road No. 5 Nanjing, Nanjing 210009, People's Republic of China.

Acta Crystallographica. Section E, Structure Reports Online

|May 18, 2011

Summary

This study details a chemical intermediate, C(13)H(18)O(4), crucial for synthesizing quinazoline derivatives. Crystal structure analysis reveals its near-planar molecular geometry due to specific torsion angles.

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Area of Science:

Organic Chemistry
Crystallography

Background:

Quinazoline derivatives are important in medicinal chemistry.
The synthesis of complex organic molecules often requires specific intermediate compounds.

Purpose of the Study:

To characterize the crystal structure of a novel intermediate compound.
To understand the molecular geometry of C(13)H(18)O(4) relevant to quinazoline synthesis.

Main Methods:

Single-crystal X-ray diffraction was employed for structural analysis.
Torsion angles were precisely measured to determine molecular conformation.

Main Results:

The compound C(13)H(18)O(4) was identified as an intermediate in quinazoline derivative synthesis.
Crystal structure analysis indicated near-planarity, with key torsion angles (benzene-butoxy and benzene-methoxycarbonyl) approaching 180° (175.3(2)° and 175.2(2)°, respectively).

Conclusions:

The determined molecular geometry provides insights into the reactivity and synthetic utility of this intermediate.
The near-planar structure is a key characteristic for its role in the synthesis of quinazoline-based compounds.