|
|
| | 2-(4-Bromomethyl)phenylpropionic acid Basic information |
| | 2-(4-Bromomethyl)phenylpropionic acid Chemical Properties |
| Melting point | 126-130 °C(lit.) | | Boiling point | 148°C (rough estimate) | | density | 1.4557 (rough estimate) | | refractive index | 1.5220 (estimate) | | storage temp. | Keep in dark place,Sealed in dry,Room Temperature | | solubility | Chloroform (Slightly), Methanol (Slightly) | | form | powder to crystal | | pka | 4.29±0.10(Predicted) | | color | White to Light yellow to Light orange | | InChI | InChI=1S/C10H11BrO2/c1-7(10(12)13)9-4-2-8(6-11)3-5-9/h2-5,7H,6H2,1H3,(H,12,13) | | InChIKey | QQXBRVQJMKBAOZ-UHFFFAOYSA-N | | SMILES | C(O)(=O)C(C1=CC=C(CBr)C=C1)C | | CAS DataBase Reference | 111128-12-2(CAS DataBase Reference) |
| | 2-(4-Bromomethyl)phenylpropionic acid Usage And Synthesis |
| Chemical Properties | beige-cream crystalline powder | | Uses | 2-[4-(Bromomethyl)phenyl]propionic Acid is a key intermediate for the synthesis of loxoprofen sodium a nonsteroidal anti-inflammatory drug. | | General Description | 2-[4-(Bromomethyl)phenyl]propionic acid is a propionic acid derivative. Its enthalpy of vaporization at boiling point (421.15K) is 36.363kjoule/mol and density at 25°C is 1.4212g/ml. | | Synthesis | The synthesis method comprises the following steps: dissolving sodium hydroxide in excessive methanol to react with p-chloro-tolualdehyde to obtain p-methoxy-tolualdehyde, andthen performing chloromethylation reaction on the p-methoxy tolualdehyde and concentrated hydrochloric acid in the existence of sulfuric acid to obtain p-chloromethyl benzyl ether; performing nucleophilic reaction on the p-chloromethyl benzyl ether and the sodium cyanide to obtain p-methoxy-methyl benzyl cyanide; reacting the p-methoxy-methyl benzyl cyanide with dimethyl carbonate under high pressure in the existence of a catalyst to obtain p-methoxy-methyl benzyl iso-propionitrile; and reacting the p-methoxy-methylbenzyl sodium isopropionate with excessive concentrate sulfuric acid to generate molten salt which is reacted with hydrobromic acid to obtain 2-(4-Bromomethyl)phenylpropionic acid. | | References | [1] Patent: CN104744237, 2016, B. Location in patent: Paragraph 0027; 0042; 0048; 0049
[2] Patent: CN105753685, 2016, A. Location in patent: Paragraph 0104; 0105
[3] Patent: CN106866404, 2017, A. Location in patent: Paragraph 0013
[4] Patent: CN107573230, 2018, A. Location in patent: Paragraph 0024; 0025; 0026; 0027; 0028; 0029; 0030; 0031 |
| | 2-(4-Bromomethyl)phenylpropionic acid Preparation Products And Raw materials |
|