TRANS-4-HYDROXYCYCLOHEXANECARBOXYLIC ACID Chemical Properties

Melting point:

145°C

Boiling point:

308℃

Density 

1.246

Flash point:

154℃

storage temp. 

Sealed in dry,Room Temperature

solubility 

DMSO, Methanol

pka

pK1:4.687 (25°C)

form 

Solid

color 

White to Off-White

InChI

InChI=1S/C7H12O3/c8-6-3-1-5(2-4-6)7(9)10/h5-6,8H,1-4H2,(H,9,10)/t5-,6-

InChIKey

HCFRWBBJISAZNK-IZLXSQMJSA-N

SMILES

[C@@H]1(C(O)=O)CC[C@@H](O)CC1

Safety Information

Risk Statements 

36/37/38

Safety Statements 

26-36/37/39

HS Code 

2916200090

TRANS-4-HYDROXYCYCLOHEXANECARBOXYLIC ACID Usage And Synthesis

Uses

trans-4-Hydroxycyclohexylcarboxylic Acid acts as a reagent in the synthetic preparation of pyrazole-pyrimidine preparation as TTK inhibitors and potential antitumors, Preparation and Janus kinase 1 (JAK1)-selective inhibitory activity of benzimidazole derivatives.

Definition

ChEBI: 4-Hydroxycyclohexylcarboxylic acid is a hydroxy monocarboxylic acid.

Synthesis

General procedure for the synthesis of cis-4-hydroxycyclohexanecarboxylic acid from methyl cis-4-hydroxycyclohexanecarboxylate: 20 g of methyl cis-4-hydroxycyclohexanecarboxylate was dissolved in 80 mL of methanol and cooled in an ice-water bath. Slowly 40mL of 5 mol/L sodium hydroxide solution was added dropwise, and after completion of the dropwise addition, the reaction mixture was stirred at room temperature overnight. After the reaction was completed, 150 mL of water was added to dilute it. The mixture was extracted twice with ethyl acetate and the organic phase was discarded. The aqueous phase was adjusted to pH 3 with 1 mol/L HCl and extracted twice with 50 mL of ethyl acetate to combine the organic phases. The organic phase was washed twice with saturated saline in turn, dried and decolorized. After filtration, ethyl acetate was recovered by distillation under reduced pressure to give 16 g of white solid product cis-4-hydroxycyclohexanecarboxylic acid in 90% yield.

References

[1] Patent: CN105061424, 2016, B. Location in patent: Paragraph 0029; 0031

TRANS-4-HYDROXYCYCLOHEXANECARBOXYLIC ACID(3685-26-5)Related Product Information

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