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.