3′H-spiro[dibenzo[c,h]xanthene-7,1′-isobenzofuran]-3′-one

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

doi:10.3390/M2033

3′H-spiro[dibenzo[c,h]xanthene-7,1′-isobenzofuran]-3′-one

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

^*Corresponding author for this work

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

Abstract

Target compound 3′H-spiro[dibenzo[c,h]xanthene-7,1′-isobenzofuran]-3′-one (1) has long been known to be a by-product obtained from the preparation of naphtholphthalein. The structure of compound 1 was elucidated in the early 20th century; however, this compound has not previously been fully characterized using modern techniques. In this report, 1H NMR and 13C NMR spectra are provided. X-ray crystallography is also used to characterize the title compound for the first time.

Original language	English
Article number	M2033
Number of pages	7
Journal	Molbank
Volume	2025
Issue number	3
Early online date	7 Jul 2025
DOIs	https://doi.org/10.3390/M2033
Publication status	Published - 1 Sept 2025

Keywords

Heterocycle synthesis
pH Indicators
X-ray structure
NMR spectra
IR spectrum

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10.3390/M2033Licence: CC BY

Chalmers_2025_Molbank_3'H-spiro[dibenzo[c,h]xanthene-7,1'-isobenzofuran]-3'-one_CC
© 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, 1.92 MBLicence: CC BY

CCDC 2453093: Experimental Crystal Structure Determination
Chalmers, B. (Creator), Cordes, D. (Creator), McKay, A. (Creator), Patterson, I. (Creator), Vladymyrova, N. (Creator) & Smellie, I. (Creator), Cambridge Crystallographic Data Centre, 2025
DOI: 10.5517/ccdc.csd.cc2nbn1q
Dataset

Cite this

@article{af28b7560a3842ffbdefd0319a75e469,

title = "3′H-spiro[dibenzo[c,h]xanthene-7,1′-isobenzofuran]-3′-one",

abstract = "Target compound 3′H-spiro[dibenzo[c,h]xanthene-7,1′-isobenzofuran]-3′-one (1) has long been known to be a by-product obtained from the preparation of naphtholphthalein. The structure of compound 1 was elucidated in the early 20th century; however, this compound has not previously been fully characterized using modern techniques. In this report, 1H NMR and 13C NMR spectra are provided. X-ray crystallography is also used to characterize the title compound for the first time.",

keywords = "Heterocycle synthesis, pH Indicators, X-ray structure, NMR spectra, IR spectrum",

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

year = "2025",

month = sep,

day = "1",

doi = "10.3390/M2033",

language = "English",

volume = "2025",

journal = "Molbank",

issn = "1422-8599",

publisher = "Multidisciplinary Digital Publishing Institute (MDPI)",

number = "3",

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TY - JOUR

T1 - 3′H-spiro[dibenzo[c,h]xanthene-7,1′-isobenzofuran]-3′-one

AU - Chalmers, Brian A.

AU - Cordes, David B.

AU - McKay, Aidan P.

AU - Patterson, Iain L. J.

AU - Vladymyrova, Nadiia

AU - Smellie, Iain A.

PY - 2025/9/1

Y1 - 2025/9/1

N2 - Target compound 3′H-spiro[dibenzo[c,h]xanthene-7,1′-isobenzofuran]-3′-one (1) has long been known to be a by-product obtained from the preparation of naphtholphthalein. The structure of compound 1 was elucidated in the early 20th century; however, this compound has not previously been fully characterized using modern techniques. In this report, 1H NMR and 13C NMR spectra are provided. X-ray crystallography is also used to characterize the title compound for the first time.

AB - Target compound 3′H-spiro[dibenzo[c,h]xanthene-7,1′-isobenzofuran]-3′-one (1) has long been known to be a by-product obtained from the preparation of naphtholphthalein. The structure of compound 1 was elucidated in the early 20th century; however, this compound has not previously been fully characterized using modern techniques. In this report, 1H NMR and 13C NMR spectra are provided. X-ray crystallography is also used to characterize the title compound for the first time.

KW - Heterocycle synthesis

KW - pH Indicators

KW - X-ray structure

KW - NMR spectra

KW - IR spectrum

U2 - 10.3390/M2033

DO - 10.3390/M2033

M3 - Article

SN - 1422-8599

VL - 2025

JO - Molbank

JF - Molbank

IS - 3

M1 - M2033

ER -

3′H-spiro[dibenzo[c,h]xanthene-7,1′-isobenzofuran]-3′-one

Abstract

Keywords

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Datasets

CCDC 2453093: Experimental Crystal Structure Determination

Cite this