4-Hydroxycyclohexanecarboxylic acid

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4-Hydroxycyclohexanecarboxylic acid manufacturers

4-Hydroxycyclohexanecarboxylic acid Basic information
Product Name:4-Hydroxycyclohexanecarboxylic acid
Synonyms:4-HYDROXYCYCLOHEXANECARBOXYLIC ACID;AKOS BB-9761;TIMTEC-BB SBB007787;4-Hydroxycyclohexanecarboxylic Acid ;4-Hydroxycyclohexane carboxylic;4-HYDROXYCYCLOHEXANECARBOXYLIC ACID (CIS- AND TRANS- MIXTURE) 98+%;4-Hydroxycyclohexanecarboxylic Acid (cis- and trans- mixture);4-Hydroxyhexahydrobenzoic acid
CAS:17419-81-7
MF:C7H12O3
MW:144.17
EINECS:
Product Categories:4-Substituted Cyclohexanecarboxylic Acids;1
Mol File:17419-81-7.mol
4-Hydroxycyclohexanecarboxylic acid Structure
4-Hydroxycyclohexanecarboxylic acid Chemical Properties
Melting point 120 °C
Boiling point 307.9±35.0 °C(Predicted)
density 1.246±0.06 g/cm3(Predicted)
storage temp. Sealed in dry,Room Temperature
solubility almost transparency in Methanol
form powder to crystal
pka4.72±0.10(Predicted)
color White to Almost white
InChIInChI=1S/C7H12O3/c8-6-3-1-5(2-4-6)7(9)10/h5-6,8H,1-4H2,(H,9,10)
InChIKeyHCFRWBBJISAZNK-UHFFFAOYSA-N
SMILESC1(C(O)=O)CCC(O)CC1
CAS DataBase Reference17419-81-7(CAS DataBase Reference)
Safety Information
Hazard Codes Xi
Risk Statements 36/37/38-41
Safety Statements 26-36/37/39-39
WGK Germany WGK 3
HS Code 2918199890
Storage Class12 - Non Combustible Liquids
Hazard ClassificationsEye Dam. 1
MSDS Information
4-Hydroxycyclohexanecarboxylic acid Usage And Synthesis
Chemical PropertiesWhite crystal or colorless transparent viscous liquid
Uses4-hydroxycyclohexanecarboxylic acid be used as organic intermediates.
DefinitionChEBI: 4-Hydroxycyclohexylcarboxylic acid is a hydroxy monocarboxylic acid.
Synthesis
Cyclohexanecarboxylic acid, 4-hydroxy-, Methyl ester, cis-

3618-03-9

cis-4-Hydroxycyclohexanecarboxylic acid

3685-22-1

The general procedure for the synthesis of cis-4-hydroxycyclohexanecarboxylic acid from methyl cis-4-hydroxycyclohexanecarboxylate was as follows: 20 g of methyl cis-4-hydroxycyclohexanecarboxylate was dissolved in 80 mL of methanol and cooled in an ice water bath. A 5 mol/L sodium hydroxide solution of 40 mL was slowly added, and after the drop was completed, 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, the ethyl acetate was concentrated under reduced pressure to recover the ethyl acetate, and 16 g of white solid product was obtained in 90% yield.

IC 50Human Endogenous Metabolite
References[1] Patent: CN105061424, 2016, B. Location in patent: Paragraph 0029; 0031
4-Hydroxycyclohexanecarboxylic acid Preparation Products And Raw materials
Raw materialsCyclohexanecarboxylic acid, 4-hydroxy-, Methyl ester, cis--->4-Oxocyclohexanecarboxylic acid
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