2-Cyclohexylmandelic acid
Synonym(s):α-Cyclohexylmandelic acid;2-Cyclohexyl-2-hydroxy-2-phenylacetic acid;Phenylcyclohexylglycolic acid
- CAS NO.：4335-77-7
- Empirical Formula: C14H18O3
- Molecular Weight: 234.29
- MDL number: MFCD00194543
- EINECS: 224-380-4
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-08-21 22:41:43
What is 2-Cyclohexylmandelic acid?
Description
This indole alkaloid occurs in the leaves of Lespedeza bicolor var. japonica and, when pure, is a colourless oil. Its MeOH solution, the ultraviolet spectrum exhibits absorption maxima at 223.4, 279 and 291 mJi. The crystalline hydrochloride has m.p. 163-4°C (dec.); the picrate forms long, yellow needles from MeOH, m.p. 160-2°C (dec.) and the styphnate, also yellow needles, has m.p. 170°C (dec.). The structure has been established as 3-(dimethylaminoethyl)-1-methoxyindole.
Chemical properties
White Solid
The Uses of 2-Cyclohexylmandelic acid
An intermediate in the synthesis of oxybutynin (O868525).
The Uses of 2-Cyclohexylmandelic acid
intermediate for Oxybutynin HCl, Oxyphenonium Bromide
The Uses of 2-Cyclohexylmandelic acid
An intermediate in the synthesis of oxybutynin (O868525). Oxybutynin USP Related Compound A.
Definition
ChEBI: Alpha-Cyclohexylmandelic acid is a member of benzenes.
References
Morimoto, Oshio., Annalen, 682, 212 (1965)
Properties of 2-Cyclohexylmandelic acid
| Melting point: | 163 °C |
| Boiling point: | 135℃/3mm |
| Density | 1.206±0.06 g/cm3(Predicted) |
| RTECS | GV2770000 |
| storage temp. | -20°C Freezer |
| solubility | Chloroform (Slightly), Methanol (Sparingly) |
| form | Solid |
| pka | 3.49±0.25(Predicted) |
| color | White to pale brown |
| CAS DataBase Reference | 4335-77-7(CAS DataBase Reference) |
Safety information for 2-Cyclohexylmandelic acid
| Signal word | Danger |
| Pictogram(s) |
 Corrosion Corrosives GHS05  Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H315:Skin corrosion/irritation H318:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P280:Wear protective gloves/protective clothing/eye protection/face protection. |
Computed Descriptors for 2-Cyclohexylmandelic acid
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