4-Carboxybenzaldehyde

4-Carboxybenzaldehyde
Names
	Preferred IUPAC name 4-Formylbenzoic acid
Identifiers
CAS Number	619-66-9 ;
3D model (JSmol)	Interactive image;
ChEBI	CHEBI:191179;
ChemSpider	11591;
ECHA InfoCard	100.009.645
EC Number	210-607-4;
PubChem CID	12088;
UNII	UES4QRK36E ;
CompTox Dashboard (EPA)	DTXSID3027249 ;
	InChI InChI=1S/C8H6O3/c9-5-6-1-3-7(4-2-6)8(10)11/h1-5H,(H,10,11) Key: GOUHYARYYWKXHS-UHFFFAOYSA-N; InChI=1/C8H6O3/c9-5-6-1-3-7(4-2-6)8(10)11/h1-5H,(H,10,11) Key: GOUHYARYYWKXHS-UHFFFAOYAP;
	SMILES c1cc(ccc1C=O)C(=O)O;
Properties
Chemical formula	C8H6O3
Molar mass	150.133 g·mol−1
Appearance	white solid
Melting point	245 °C (473 °F; 518 K)
	Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references

4-Carboxybenzaldehyde (CBA) is an organic compound with the formula OCHC₆H₄CO₂H. It consists of a benzene ring substituted with both an aldehyde and a carboxylic acid, with these functional groups on opposite corners of the ring. This compound is formed in 0.5% yield as a byproduct in the production terephthalic acid from p-xylene. Since approximately 40,000,000 tons of terephthalic acid are produced per year, CBA is a relatively large scale industrial chemical.^[2]

Uses

One known use of 4-Carboxybenzaldehyde is in the synthesis of Bavisant (JNJ-31001074) [929622-08-2].^[3] Another use is in the synthesis of revefenacin.

References

^ International Union of Pure and Applied Chemistry (2014). Nomenclature of Organic Chemistry: IUPAC Recommendations and Preferred Names 2013. The Royal Society of Chemistry. P-65.1.6.3. doi:10.1039/9781849733069. ISBN 978-0-85404-182-4.
^ Barnicki, Scott D. (2012). "Synthetic Organic Chemicals". In Kent, James A. (ed.). Handbook of Industrial Chemistry and Biotechnology. Boston, MA: Springer US. pp. 307–389. doi:10.1007/978-1-4614-4259-2_10. ISBN 978-1-4614-4258-5.
^ Brett D. Allison, et al. WO2007035425 (to Janssen Pharmaceutica NV).

[1] International Union of Pure and Applied Chemistry (2014). Nomenclature of Organic Chemistry: IUPAC Recommendations and Preferred Names 2013. The Royal Society of Chemistry. P-65.1.6.3. doi:10.1039/9781849733069. ISBN 978-0-85404-182-4.

[2] Barnicki, Scott D. (2012). "Synthetic Organic Chemicals". In Kent, James A. (ed.). Handbook of Industrial Chemistry and Biotechnology. Boston, MA: Springer US. pp. 307–389. doi:10.1007/978-1-4614-4259-2_10. ISBN 978-1-4614-4258-5.

[3] Brett D. Allison, et al. WO2007035425 (to Janssen Pharmaceutica NV).

[1]

[2]

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Uses

See also

References