| Identification | More | [Name]
(S)-2-Chloromandelic acid | [CAS]
52950-19-3 | [Synonyms]
(S)-(+)-2-CHLOROMANDELIC ACID
(S)-2-CHLOROMANDELIC ACID
(S)-O-CHLOROMANDELIC ACID
D-2-Chloromandelic
S-(+)-Chloro phenyl glycollic acid
(S(+)-chloromandelicacid)
(S )-(-)-2-chloromandellic acid
(+)-2-Chloromedolic Acid | [EINECS(EC#)]
1308068-626-2 | [Molecular Formula]
C8H7ClO3 | [MDL Number]
MFCD00798437 | [Molecular Weight]
186.59 | [MOL File]
52950-19-3.mol |
| Chemical Properties | Back Directory | [Appearance]
white to light yellow crystal powder | [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 | [form ]
Powder | [pka]
3.30±0.10(Predicted) | [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) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S37/39:Wear suitable gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing . | [WGK Germany ]
3
| [HS Code ]
29181990 | [Storage Class]
11 - Combustible Solids |
| Hazard Information | Back Directory | [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
[2] Patent: US2004/236129, 2004, A1. Location in patent: Page 4
[3] Patent: US2004/236129, 2004, A1. Location in patent: Page 4
[4] Patent: US2004/236129, 2004, A1. Location in patent: Page 4
[5] Patent: US2004/236129, 2004, A1. Location in patent: Page 4 |
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