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| | 4-(Hydroxymethyl)phenylacetic acid Basic information |
| | 4-(Hydroxymethyl)phenylacetic acid Chemical Properties |
| Melting point | 131-134 °C (lit.) | | Boiling point | 357.8±22.0 °C(Predicted) | | density | 1.271±0.06 g/cm3(Predicted) | | storage temp. | Sealed in dry,Room Temperature | | form | powder to crystal | | pka | 4.27±0.10(Predicted) | | color | White to Almost white | | InChI | InChI=1S/C9H10O3/c10-6-8-3-1-7(2-4-8)5-9(11)12/h1-4,10H,5-6H2,(H,11,12) | | InChIKey | FWZBPBKAANKOJQ-UHFFFAOYSA-N | | SMILES | C1(CC(O)=O)=CC=C(CO)C=C1 | | CAS DataBase Reference | 73401-74-8(CAS DataBase Reference) |
| Hazard Codes | Xi | | Risk Statements | 36 | | Safety Statements | 26-36 | | WGK Germany | 3 | | Hazard Note | Irritant | | HS Code | 29181990 | | Storage Class | 11 - Combustible Solids | | Hazard Classifications | Eye Irrit. 2 |
| | 4-(Hydroxymethyl)phenylacetic acid Usage And Synthesis |
| Chemical Properties | White solid | | Uses | 4-(Hydroxymethyl)phenylacetic acid can serve as the main body of insoluble polypeptide. 4-(Hydroxymethyl)phenylacetic acid contains a benzen ring with substituted 1, 4 position[1]. | | Synthesis | The general procedure for the synthesis of 4-(hydroxymethyl)benzeneacetic acid from 4-bromomethylphenylacetic acid was as follows: 4-bromomethylphenylacetic acid (2.3 kg, 10.0 mol, 1 eq.) was added to an aqueous (90 L) solution of sodium hydroxide (1.61 kg, 40.2 mol, 4 eq.) and the resulting mixture was stirred at room temperature overnight. After confirming the complete consumption of 4-bromomethylphenylacetic acid by TLC analysis, the reaction mixture was carefully acidified with concentrated sulfuric acid (1.0 L) to a pH of about 2. Subsequently, solid sodium chloride (25 kg) was added to the mixture, followed by extraction with ethyl acetate (33 L × 3). The combined organic phases were washed with brine, dried over anhydrous sodium sulfate, and concentrated until a significant amount of solid precipitated. The resulting suspension was kept at 4-6 °C overnight to promote further crystallization. The solid product was collected by filtration and the filter cake was washed with petroleum ether (2 L × 2) to afford 4-(hydroxymethyl)benzeneacetic acid (1.2 kg, yield: 71.9%). HPLC purity was 97.8% (220 nm); 1H NMR (300 MHz, DMSO-d6) δ 12.27 (s, 1H), 7.26-7.12 (m, 4H), 5.14 ( s, 1H), 4.47 (s, 2H), 3.53 (s, 2H). | | References | [1] Zhou Bin, et al. Coupled peptide chain for dissolving insoluble polypeptide and its application in liquid phase chromatography separation and purification. China, CN105001307 A. 2015-10-28. |
| | 4-(Hydroxymethyl)phenylacetic acid Preparation Products And Raw materials |
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