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| | (R)-(-)-2-Chloromandelic acid Basic information |
| | (R)-(-)-2-Chloromandelic acid Chemical Properties |
| Melting point | 119-121 °C(lit.) | | Boiling point | 266.91°C (rough estimate) | | alpha | -125 º (c=3, H2O) | | density | 1.48 | | vapor pressure | 0Pa at 25℃ | | refractive index | -124.5 ° (C=3, H2O) | | storage temp. | Sealed in dry,Room Temperature | | solubility | Methanol | | form | Solid | | pka | 3.30±0.10(Predicted) | | color | Off-White | | Optical Rotation | [α]23/D 126°, c = 3 in H2O | | BRN | 2693370 | | InChI | 1S/C8H7ClO3/c9-6-4-2-1-3-5(6)7(10)8(11)12/h1-4,7,10H,(H,11,12)/t7-/m1/s1 | | InChIKey | RWOLDZZTBNYTMS-SSDOTTSWSA-N | | SMILES | O[C@@H](C(O)=O)c1ccccc1Cl | | LogP | 1.51 at 23℃ | | Surface tension | 48.7mN/m at 1g/L and 20℃ | | CAS DataBase Reference | 52950-18-2(CAS DataBase Reference) |
| | (R)-(-)-2-Chloromandelic acid Usage And Synthesis |
| Chemical Properties | white to light yellow crystal powder | | Uses | Clopidogrel intermediate. | | 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 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 |
| | (R)-(-)-2-Chloromandelic acid Preparation Products And Raw materials |
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