ChemicalBook--->CAS DataBase List--->3685-26-5

3685-26-5

3685-26-5 Structure

3685-26-5 Structure
IdentificationBack Directory
[Name]

TRANS-4-HYDROXYCYCLOHEXANECARBOXYLIC ACID
[CAS]

3685-26-5
[Synonyms]

Hydroxycyclohexanecarboxylicacid
trans-1-Carboxy-4-hydroxycyclohexane
CIS-4-HYDROXYCYCLOHEXANECARBOXYLIC ACID
TRANS-4-HYDROXYCYCLOHEXANECARBOXYLIC ACID
(1r,4r)-4-hydroxycyclohexanecarboxylic acid
trans-4-Hydroxycyclohexane-1-carboxylic acid
Cyclohexanecarboxylicacid, 4-hydroxy-, trans-
trans-4-Hydroxycyclohexanecarboxylic Acid
[Molecular Formula]

C7H12O3
[MDL Number]

MFCD02093477
[MOL File]

3685-26-5.mol
[Molecular Weight]

144.17
Chemical PropertiesBack Directory
[Melting point ]

145°C
[Boiling point ]

308℃
[density ]

1.246
[Fp ]

154℃
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

DMSO, Methanol
[form ]

Solid
[pka]

pK1:4.687 (25°C)
[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 DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319
[Precautionary statements ]

P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
[Risk Statements ]

36/37/38
[Safety Statements ]

26-36/37/39
[HS Code ]

2916200090
Hazard InformationBack Directory
[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]

Cyclohexanecarboxylic acid, 4-hydroxy-, Methyl ester, cis-

3618-03-9

cis-4-Hydroxycyclohexanecarboxylic acid

3685-22-1

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
Spectrum DetailBack Directory
[Spectrum Detail]

TRANS-4-HYDROXYCYCLOHEXANECARBOXYLIC ACID(3685-26-5)MS
TRANS-4-HYDROXYCYCLOHEXANECARBOXYLIC ACID(3685-26-5)1HNMR
TRANS-4-HYDROXYCYCLOHEXANECARBOXYLIC ACID(3685-26-5)13CNMR
TRANS-4-HYDROXYCYCLOHEXANECARBOXYLIC ACID(3685-26-5)IR1
TRANS-4-HYDROXYCYCLOHEXANECARBOXYLIC ACID(3685-26-5)IR2
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