Diels-Alder Reactivity of Triisopropylsilyl Ethynyl Substituted Acenes [data]

DOI

We investigated the Diels-Alder reaction of 6,13-bis(triisopropylsilyl)pentacene (1) with small dienophiles such as (bridged) dihydronaphthalenes/cyclohexenes that yielded adducts at the central ring, the other dienophiles predominantly or exclusively attacked the unsubstituted off-center ring. The difference in regioselectivity was investigated by DFT calculations. Apart from dispersion interactions, it is due to the steric demand of the dienophiles, which need to fit in between the silylethynyl substituents to react at the central ring. Epoxynaphthalene adducts of 1 as well as its anthracene and tetracene congeners were deoxygenated, easily furnishing triarenobarrelenes with TIPS-ethynyl substituents at the bridge heads, attractive building blocks for porous solids and higher acene-based trimers.

Identifier
DOI https://doi.org/10.11588/data/HCEAB4
Related Identifier IsCitedBy https://doi.org/10.1002/chem.202403522
Metadata Access https://heidata.uni-heidelberg.de/oai?verb=GetRecord&metadataPrefix=oai_datacite&identifier=doi:10.11588/data/HCEAB4
Provenance
Creator Jester, Fabian; Kaczun, Tobias; Maier, Steffen; Meiners, Paul; Weigold, Svenja; Rominger, Frank; Dreuw, Andreas; Freudenberg, Jan; Bunz, Uwe H. F.
Publisher heiDATA
Contributor Jester, Fabian; Bunz, Uwe H. F.
Publication Year 2024
Funding Reference Deutsche Forschungsgemeinschaft (SFB): 1249 ; Deutsche Forschungsgemeinschaft: INST 40/575-1 FUGG ; Deutsche Forschungsgemeinschaft: INST 35/1596-1 FUGG
Rights CC BY 4.0; info:eu-repo/semantics/openAccess; http://creativecommons.org/licenses/by/4.0
OpenAccess true
Contact Jester, Fabian (Heidelberg University, OCI); Bunz, Uwe H. F. (Heidelberg University, OCI)
Representation
Resource Type Dataset
Format application/zip
Size 180272733; 1196548; 53563854; 51948778; 82412
Version 1.0
Discipline Chemistry; Natural Sciences