2′,7′-Dimethyl-3H-spiro[isobenzofuran-1,9′-xanthen]-3-one

Brian Alexander Chalmers; Aidan P. McKay; David Bradford Cordes; Iain L. J. Patterson; Nadiia Vladymyrova; Iain Smellie

doi:10.3390/M2007

2′,7′-Dimethyl-3H-spiro[isobenzofuran-1,9′-xanthen]-3-one

Brian Alexander Chalmers, Aidan P. McKay, David Bradford Cordes, Iain L. J. Patterson, Nadiia Vladymyrova, Iain Smellie^*

^*Corresponding author for this work

Research output: Contribution to journal › Article › peer-review

Abstract

A synthetic route to 2′,7′-dimethyl-3H-spiro[isobenzofuran-1,9′-xanthen]-3-one has been described using methanesulfonic acid in place of reagents described in protocols from the early 20th century. A full NMR assignment has been made and X-ray crystallography has been used to characterise the title compound for the first time.

Original language	English
Article number	M2007
Number of pages	7
Journal	Molbank
Volume	2025
Issue number	2
DOIs	https://doi.org/10.3390/M2007
Publication status	Published - 14 May 2025

Keywords

heterocycle synthesis
IR spectrum
NMR spectra
X-ray structure

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10.3390/M2007Licence: CC BY

Chalmers_2025_Molbank_Dimethyl_CC
Copyright: © 2025 by the authors. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (https://creativecommons.org/licenses/by/4.0/).
Final published version, 2.24 MBLicence: CC BY

CCDC 2441124: Experimental Crystal Structure Determination
Chalmers, B. A. (Creator), McKay, A. P. (Creator), Cordes, D. B. (Creator), Patterson, I. L. J. (Creator), Vladymyrova, N. (Creator) & Smellie, I. A. (Creator), Cambridge Crystallographic Data Centre, 2025
DOI: 10.5517/ccdc.csd.cc2my5yq
Dataset

Cite this

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title = "2′,7′-Dimethyl-3H-spiro[isobenzofuran-1,9′-xanthen]-3-one",

abstract = "A synthetic route to 2′,7′-dimethyl-3H-spiro[isobenzofuran-1,9′-xanthen]-3-one has been described using methanesulfonic acid in place of reagents described in protocols from the early 20th century. A full NMR assignment has been made and X-ray crystallography has been used to characterise the title compound for the first time.",

keywords = "heterocycle synthesis, IR spectrum, NMR spectra, X-ray structure",

author = "Chalmers, {Brian Alexander} and McKay, {Aidan P.} and Cordes, {David Bradford} and Patterson, {Iain L. J.} and Nadiia Vladymyrova and Iain Smellie",

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day = "14",

doi = "10.3390/M2007",

language = "English",

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T1 - 2′,7′-Dimethyl-3H-spiro[isobenzofuran-1,9′-xanthen]-3-one

AU - Chalmers, Brian Alexander

AU - McKay, Aidan P.

AU - Cordes, David Bradford

AU - Patterson, Iain L. J.

AU - Vladymyrova, Nadiia

AU - Smellie, Iain

PY - 2025/5/14

Y1 - 2025/5/14

N2 - A synthetic route to 2′,7′-dimethyl-3H-spiro[isobenzofuran-1,9′-xanthen]-3-one has been described using methanesulfonic acid in place of reagents described in protocols from the early 20th century. A full NMR assignment has been made and X-ray crystallography has been used to characterise the title compound for the first time.

AB - A synthetic route to 2′,7′-dimethyl-3H-spiro[isobenzofuran-1,9′-xanthen]-3-one has been described using methanesulfonic acid in place of reagents described in protocols from the early 20th century. A full NMR assignment has been made and X-ray crystallography has been used to characterise the title compound for the first time.

KW - heterocycle synthesis

KW - IR spectrum

KW - NMR spectra

KW - X-ray structure

U2 - 10.3390/M2007

DO - 10.3390/M2007

M3 - Article

AN - SCOPUS:105009307049

SN - 1422-8599

VL - 2025

JO - Molbank

JF - Molbank

IS - 2

M1 - M2007

ER -

2′,7′-Dimethyl-3H-spiro[isobenzofuran-1,9′-xanthen]-3-one

Abstract

Keywords

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Datasets

CCDC 2441124: Experimental Crystal Structure Determination

Cite this