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| | 2-Chloromandelic acid Basic information |
| | 2-Chloromandelic acid Chemical Properties |
| Melting point | 90-93 °C(lit.) | | Boiling point | 266.91°C (rough estimate) | | density | 1.3245 (rough estimate) | | refractive index | 1.5250 (estimate) | | storage temp. | Keep in dark place,Sealed in dry,Room Temperature | | solubility | Chloroform (Slightly, Sonicated), Methanol (Slightly) | | form | Crystalline Powder | | pka | 3.30±0.10(Predicted) | | color | White to pale cream | | Water Solubility | Very soluble in water. | | BRN | 2367070 | | Stability: | Hygroscopic | | InChI | InChI=1S/C8H7ClO3/c9-6-4-2-1-3-5(6)7(10)8(11)12/h1-4,7,10H,(H,11,12) | | InChIKey | RWOLDZZTBNYTMS-UHFFFAOYSA-N | | SMILES | C(C1C=CC=CC=1Cl)(O)C(=O)O | | CAS DataBase Reference | 10421-85-9(CAS DataBase Reference) |
| Hazard Codes | Xi | | Risk Statements | 36/37/38 | | Safety Statements | 24/25-36-26 | | WGK Germany | 3 | | HS Code | 29181990 | | Storage Class | 11 - Combustible Solids |
| | 2-Chloromandelic acid Usage And Synthesis |
| Chemical Properties | White to pale cream crystalline powder | | Uses | 2-Chloromandelic acid, is used as a pharmaceutical intermediate as well as in the medicine industry. It is used as a intermediate of clopidrogrel. | | General Description | 2-Chloromandelic acid (2-ClMA) is a mandelic acid derivative. A report based on its solid state-NMR, X-ray powder diffraction (XPRD) and Fourier transform infrared spectroscopy (FTIR) data reveals that in solid state 2-ClMA exists as a racemic compound. The study also suggests that the crystals of racemic 2-ClMA belongs the monoclinic space group P21/c. The efficiency of (R)-(+)-N-benzyl-1-phenylethylamine in resolving racemate 2-ClMA has been investigated. | | Synthesis | First, 150 mL of toluene was added to a flask equipped with a stirrer and an internal thermometer. Under stirring conditions, 0.09 g (0.08 x 10^-3 mol) of the (R,R)-VO salen complex from Example 1 and 21.1 g (0.15 mol) of freshly prepared 2-chlorobenzaldehyde were added sequentially. Subsequently, 10.1 g (0.375 mol) of hydrocyanic acid was added all at once. The resulting dark green homogeneous solution was stirred for 24 h at room temperature in a closed apparatus. The conversion was analyzed by gas chromatography (GC) to be 98% and the enantiomeric excess (ee) value of (S)-2-chloromandelate cyanohydrin was 73%. | | References | [1] Patent: US2004/236129, 2004, A1. Location in patent: Page 4 |
| | 2-Chloromandelic acid Preparation Products And Raw materials |
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