| Identification | Back Directory | [Name]
3-FORMYL-4-HYDROXYBENZOIC ACID | [CAS]
584-87-2 | [Synonyms]
3-FormyL
-4-hydroxybenzoic acid
3-FORMYL-4-HYDROXYBENZOIC ACID
3-formyl-4-hydroxybenzonic acid
4-HYDROXYISOPHTHALALDEHYDIC ACID
Benzoic acid, 3-formyl-4-hydroxy-
4-hydroxy-3-methanoyl-benzoic acid
3-ForMyl-4-hydroxybenzoic acid 97%
4-HYDROXYISOPHTHALALDEHYDIC ACID 97%
3-FORMYL-4-HYDROXYBENZOIC ACID HEMIHYDRATE | [Molecular Formula]
C8H6O4 | [MDL Number]
MFCD00016595 | [MOL File]
584-87-2.mol | [Molecular Weight]
166.13 |
| Chemical Properties | Back Directory | [Melting point ]
246-250 °C (lit.) | [Boiling point ]
254.32°C (rough estimate) | [density ]
1.3579 (rough estimate) | [refractive index ]
1.5090 (estimate) | [storage temp. ]
Inert atmosphere,2-8°C | [form ]
solid | [pka]
4.22±0.10(Predicted) | [Appearance]
White to yellow Solid | [InChI]
InChI=1S/C8H6O4/c9-4-6-3-5(8(11)12)1-2-7(6)10/h1-4,10H,(H,11,12) | [InChIKey]
NXZBZWZORYEIJL-UHFFFAOYSA-N | [SMILES]
C(O)(=O)C1=CC=C(O)C(C=O)=C1 |
| Hazard Information | Back Directory | [Synthesis]
GENERAL METHOD: To a solution of trifluoroacetic acid (5 mL) of the substrate (1a-1q, 0.15 mmol) was sequentially added hexamethylenetetramine (urotropine, 0.3 mmol) and cuprous oxide (0.15 mmol). The reaction mixture was heated to reflux for 5 h and subsequently cooled to room temperature. A 3 N hydrochloric acid solution (5 mL) was slowly added to the reaction system and stirring was continued for 1 hour. Upon completion of the reaction, the mixture was concentrated under reduced pressure to remove the solvent. The crude product was purified by silica gel column chromatography (200-300 mesh) to afford the target product 3-formyl-4-hydroxybenzoic acid. | [References]
[1] Bioconjugate Chemistry, 2018, vol. 29, # 9, p. 2909 - 2919
[2] Dalton Transactions, 2010, vol. 39, # 8, p. 2070 - 2077
[3] European Journal of Inorganic Chemistry, 2012, # 32, p. 5225 - 5238
[4] Research on Chemical Intermediates, 2015, vol. 41, # 11, p. 8147 - 8158
[5] Chemical Communications, 2018, vol. 54, # 42, p. 5385 - 5388 |
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