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| | (S)-2-Chloromandelic acid Basic information |
| | (S)-2-Chloromandelic acid Chemical Properties |
| Melting point | 118-121 °C(lit.) | | alpha | 124 º (c=3,H2O) | | Boiling point | 350.3±27.0 °C(Predicted) | | density | 1.468±0.06 g/cm3(Predicted) | | storage temp. | Sealed in dry,Room Temperature | | solubility | Methanol, Water | | pka | 3.30±0.10(Predicted) | | form | Powder | | color | White to pale brown | | InChI | 1S/C8H7ClO3/c9-6-4-2-1-3-5(6)7(10)8(11)12/h1-4,7,10H,(H,11,12)/t7-/m0/s1 | | InChIKey | RWOLDZZTBNYTMS-ZETCQYMHSA-N | | SMILES | O[C@H](C(O)=O)c1ccccc1Cl | | CAS DataBase Reference | 52950-19-3(CAS DataBase Reference) |
| Hazard Codes | Xi | | Risk Statements | 36/37/38 | | Safety Statements | 37/39-26-36 | | WGK Germany | 3 | | HS Code | 29181990 | | Storage Class | 11 - Combustible Solids |
| | (S)-2-Chloromandelic acid Usage And Synthesis |
| Chemical Properties | white to light yellow crystal powder | | Uses | (S)-2-Chloromandelic acid can be used for chiral resolutions. | | Synthesis | First, 150 mL of toluene was added to a flask equipped with a stirrer and an internal thermometer. Under constant stirring, 0.09 g (0.08 x 10^-3 mol) of the (R,R)-VO salen complex of 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 dark green homogeneous solution formed was stirred for 24 h at room temperature in a closed apparatus. The conversion was analyzed by gas chromatography (GC) and was 98%; the enantiomeric excess (ee) value of (S)-2-chloromandelate cyanohydrin was 73%. | | References | [1] Patent: US2004/236129, 2004, A1. Location in patent: Page 4 |
| | (S)-2-Chloromandelic acid Preparation Products And Raw materials |
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