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| | 2-Benzoylbenzoic acid Basic information | | Synthesis |
| | 2-Benzoylbenzoic acid Chemical Properties |
| Melting point | 126-129 °C (lit.) | | Boiling point | 257-265 °C (lit.) | | density | 1.2022 (rough estimate) | | refractive index | 1.5767 (estimate) | | Fp | 257°C | | storage temp. | Sealed in dry,Room Temperature | | solubility | Chloroform (Slightly), Methanol (Slightly) | | pka | pK1: 3.54 (25°C) | | form | Crystalline Powder | | color | Almost white to slightly beige | | Water Solubility | 284mg/L at 20℃ | | BRN | 1107841 | | InChIKey | FGTYTUFKXYPTML-UHFFFAOYSA-N | | LogP | 1.4 at 35℃ | | CAS DataBase Reference | 85-52-9(CAS DataBase Reference) | | NIST Chemistry Reference | Benzoic acid, 2-benzoyl-(85-52-9) | | EPA Substance Registry System | Benzoic acid, 2-benzoyl- (85-52-9) |
| | 2-Benzoylbenzoic acid Usage And Synthesis |
| Synthesis | In the presence of aluminum trichloride, phthalic anhydride and benzene are condensed and obtained by hydrolysis. The hydrochloric acid gas by-product in the reaction should preferably be absorbed into dilute hydrochloric acid for subsequent use. The industrial benzoylbenzoic acid is white to beige powder, the purity is above 97%, and the initial melting point of the dry product is ≥126.0%. | | Chemical Properties | ALMOST WHITE TO SLIGHTLY BEIGE CRYSTALLINE POWDER | | Uses | 2-Benzoylbenzoic Acid is a reagent that is used in the synthesis of BzATP Triethylammonium Salt, which is a selective P2X purinergic agonist. It is more potent than ATP at homodimeric P2X7 receptors. | | Synthesis Reference(s) | Journal of the American Chemical Society, 70, p. 2758, 1948 DOI: 10.1021/ja01188a035
The Journal of Organic Chemistry, 39, p. 2051, 1974 DOI: 10.1021/jo00928a016 | | Flammability and Explosibility | Notclassified | | Safety Profile | Moderately toxic by ingestion.When heated to decomposition it emits acrid smoke andirritating vapors. | | Purification Methods | Recrystallise the acid from *C6H6 or cyclohexane, but it is best recrystallised by dissolving in a small volume of hot toluene and then adding just enough pet ether to cause turbidity, and cool. Dry it in a low vacuum at 80o. It can be sublimed at 230-240o/0.3mm [Bray et al. J Chem Soc 265 1957]. The S-benzylisothiuronium salt has m 177-178o (from EtOH). [Lewenz & Serijan J Am Chem Soc 75 4087 1953, Beilstein 10 H 747, 10 IV 2977.] |
| | 2-Benzoylbenzoic acid Preparation Products And Raw materials |
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