| Identification | Back Directory | [Name]
4-hydroxycyclohexylacetic acid | [CAS]
99799-09-4 | [Synonyms]
4-hydroxycyclohexylacetic acid
4-hydroxy-Cyclohexane acetic acid
Cyclohexaneacetic acid, 4-hydroxy-
2-(4-hydroxycyclohexyl)acetic acid
2-(4-Hydroxycyclohexyl)acetic Acid (cis- and trans- mixture) | [Molecular Formula]
C8H14O3 | [MDL Number]
MFCD13659403 | [MOL File]
99799-09-4.mol | [Molecular Weight]
158.2 |
| Chemical Properties | Back Directory | [Melting point ]
110-120 °C | [Boiling point ]
326.4±15.0 °C(Predicted) | [density ]
1.166±0.06 g/cm3(Predicted) | [storage temp. ]
Sealed in dry,Room Temperature | [solubility ]
DMSO (Slightly), Methanol (Slightly) | [form ]
Solid | [pka]
4.72±0.10(Predicted) | [color ]
White to Off-White | [InChI]
InChI=1S/C8H14O3/c9-7-3-1-6(2-4-7)5-8(10)11/h6-7,9H,1-5H2,(H,10,11) | [InChIKey]
ALTAAUJNHYWOGS-UHFFFAOYSA-N | [SMILES]
C1(CC(O)=O)CCC(O)CC1 |
| Hazard Information | Back Directory | [Uses]
2-(4-Hydroxycyclohexyl)acetic Acid can be used to treat cancer and immunological and neurological disorders. | [Definition]
ChEBI:Cis-4-Hydroxycyclohexylacetic acid is a hydroxy monocarboxylic acid. | [Synthesis]
General procedure for the synthesis of 4-hydroxycyclohexylacetic acid from methyl (4-hydroxycyclohexyl)acetate: potassium hydroxide (326 mg) and methyl 2-(4-hydroxycyclohexyl)acetate (500 mg) were dissolved in a mixed solvent of methanol (20 mL) and water (20 mL), and the reaction was stirred for 6 hours at 60 °C. After completion of the reaction, the mixture was cooled to room temperature and concentrated under reduced pressure to remove most of the solvent. Subsequently, the pH was adjusted to 1 with 2 M hydrochloric acid solution, followed by extraction with ethyl acetate (50 mL). The organic layer was dried with anhydrous sodium sulfate, filtered and concentrated under reduced pressure to give 4-hydroxycyclohexylacetic acid (150 mg) as a white solid. Mass spectrometry (ESI) analysis showed that the theoretical molecular weight of C8H14O3 was 158 and the measured value was 159 [M+H]+. | [References]
[1] Patent: WO2015/180613, 2015, A1. Location in patent: Page/Page column 16
[2] Patent: WO2015/180612, 2015, A1. Location in patent: Page/Page column 43 |
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China Langchem Inc.
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Spectrum Chemical Manufacturing Corp.
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Cool Pharm, Ltd
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