Work

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-tetrahydro-2 H -1,3-benzodioxole-4,5-diol

Year: 2024

Type: article

Abstract: The absolute configuration of the title compound, C 13 H 16 O 4 , determined as 1 S ,2 R ,3 S ,4 R based on the synthetic pathway, was confirmed by single-crystal X-ray diffraction. The molecule is a relevant intermediary for the synthesis of speciosins, epoxyquinoides or their analogues. The molecule contains fused five- and six-membered rings with two free hydroxyl groups and two protected as an isopropylidenedioxo ring. The packing is directed by hydrogen bonds that define double planes of molecules laying along the ab plane and van der Waals interactions between aliphatic chains that point outwards of the planes.

Source: Acta Crystallographica Section E Crystallographic Communications

DOI: 10.1107/s2056989024009733

Authors: Alejandro Peixoto de Abreu Lima, Enrique Pandolfi, Valeria Schapiro, Leopoldo Suescun

Institution: Universidad de la República de Uruguay

Language: English

Topic: Crystal structures of chemical compounds

Subfield: Inorganic Chemistry

Field: Chemistry

Domain: Physical Sciences

Open Access status: gold

Estimated APC paid: $500

Funders: Agencia Nacional de Investigación e Innovación, Universidad de la República Uruguay