| Identification | Back Directory | [Name]
4-HYDROXYPHTHALIC ANHYDRIDE | [CAS]
27550-59-0 | [Synonyms]
4-Hydroxy-phthalicanhydrid
4-HYDROXYPHTHALIC ANHYDRIDE
5-hydroxy-2-benzofuran-1,3-dione
5-hydroxyisobenzofuran-1,3-dione
1,3-Isobenzofurandione,5-hydroxy-
5-Hydroxy-1,3-isobenzofurandione, 98+%
5-hydroxy-1,3-dihydro-2-benzofuran-1,3-dione | [Molecular Formula]
C8H4O4 | [MDL Number]
MFCD00997252 | [MOL File]
27550-59-0.mol | [Molecular Weight]
164.12 |
| Chemical Properties | Back Directory | [Melting point ]
171-173 °C(Solv: acetic acid (64-19-7)) | [Boiling point ]
407.8±28.0 °C(Predicted) | [density ]
1.624±0.06 g/cm3(Predicted) | [storage temp. ]
Inert atmosphere,2-8°C | [pka]
6.52±0.20(Predicted) | [Appearance]
Off-white to light brown Solid | [InChI]
InChI=1S/C8H4O4/c9-4-1-2-5-6(3-4)8(11)12-7(5)10/h1-3,9H | [InChIKey]
PXHIYFMTRHEUHZ-UHFFFAOYSA-N | [SMILES]
C1(=O)C2=C(C=C(O)C=C2)C(=O)O1 |
| Hazard Information | Back Directory | [Uses]
4-Hydroxyphthalic anhydride is a derivative of 3-hydroxyphthalic anhydride and can be used to modify proteins for in vitro biologics studies. | [Synthesis]
The sublimation reaction was carried out at 220 °C and under vacuum conditions (~10 mbar) using 4-hydroxyphthalic acid (1 g, 5.49 mmol) as the raw material. Upon completion of the reaction, the resulting white solid 5-hydroxyisobenzofuran-1,3-dione (675 mg, 4.11 mmol, 74.9% yield, MS/ESI+ 164.9 [MH]+) was collected. The product is to be stored under vacuum and used directly in subsequent reaction steps. | [References]
[1] Bioorganic and Medicinal Chemistry Letters, 2005, vol. 15, # 20, p. 4427 - 4431
[2] Journal of Medicinal Chemistry, 2011, vol. 54, # 1, p. 342 - 353
[3] Patent: CN104910113, 2017, B. Location in patent: Page/Page column 0041; 0044-0046
[4] European Journal of Medicinal Chemistry, 1987, vol. 22, p. 229 - 238
[5] Patent: US2013/102576, 2013, A1. Location in patent: Paragraph 0607 |
|
|