Synthesis, crystal structure and absolute configuration of (3a S ,4 R ,5 S ,7a R )-7-(but-3-en-1-yn-1-yl)-2,2-dimethyl-3a,4,5,7a-tetra-hydro-2 H -1,3-benzodioxole-4,5-diol

Synthesis, crystal structure and absolute configuration of (3a S ,4 R ,5 S ,7a R )-7-(but-3-en-1-yn-1-yl)-2,2-dimethyl-3a,4,5,7a-tetra-hydro-2 H -1,3-benzodioxole-4,5-diol

The absolute configuration of the title compound, C H O , determined as 1 ,2 ,3 ,4 based on the synthetic pathway, was confirmed by single-crystal X-ray diffraction. The mol-ecule is a relevant inter-mediary for the synthesis of speciosins, ep-oxy-quinoides or their analogues. The mol-ecule contains...

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Veröffentlicht in:Acta crystallographica. Section E, Crystallographic communications Crystallographic communications, 2024-10, Vol.80 (Pt 11), p.1165
Hauptverfasser: Peixoto de Abreu Lima, Alejandro, Pandolfi, Enrique, Schapiro, Valeria, Suescun, Leopoldo
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container_title Acta crystallographica. Section E, Crystallographic communications
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creator Peixoto de Abreu Lima, Alejandro
Pandolfi, Enrique
Schapiro, Valeria
Suescun, Leopoldo
description The absolute configuration of the title compound, C H O , determined as 1 ,2 ,3 ,4 based on the synthetic pathway, was confirmed by single-crystal X-ray diffraction. The mol-ecule is a relevant inter-mediary for the synthesis of speciosins, ep-oxy-quinoides or their analogues. The mol-ecule contains fused five- and six-membered rings with two free hydroxyl groups and two protected as an iso-propyl-idenedioxo ring. The packing is directed by hydrogen bonds that define double planes of mol-ecules laying along the plane and van der Waals inter-actions between aliphatic chains that point outwards of the planes.
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title Synthesis, crystal structure and absolute configuration of (3a S ,4 R ,5 S ,7a R )-7-(but-3-en-1-yn-1-yl)-2,2-dimethyl-3a,4,5,7a-tetra-hydro-2 H -1,3-benzodioxole-4,5-diol
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