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| | 4-(TRIFLUOROMETHYL)CYCLOHEXANOL Basic information |
| Product Name: | 4-(TRIFLUOROMETHYL)CYCLOHEXANOL | | Synonyms: | 4-(TRIFLUOROMETHYL)CYCLOHEXAN-1-OL;4-(TRIFLUOROMETHYL)CYCLOHEXANOL;4-(TRIFLUOROMETHYL)CYCLOHEXANOL, CIS/TRANS;4-(TRIFLUOROMETHYL)CYCLOHEXANOL (CIS/TRANS MIXTURE);4-(Trifluoromethyl)cyclohexanol (mixture of cis-and trans-);4-(Trifluoromethyl)cyclohexanol (cis- and trans- mixture);1-Hydroxy-4-(trifluoromethyl)cyclohexane;4-(Trifluoromethyl)cyclohexanol (cis- and trans- mixture) | | CAS: | 30129-18-1 | | MF: | C7H11F3O | | MW: | 168.16 | | EINECS: | | | Product Categories: | Ring Systems | | Mol File: | 30129-18-1.mol |  |
| | 4-(TRIFLUOROMETHYL)CYCLOHEXANOL Chemical Properties |
| Boiling point | 78 °C | | density | 1.23 | | refractive index | 1.4070 to 1.4110 | | storage temp. | Keep in dark place,Sealed in dry,Room Temperature | | pka | 14.88±0.40(Predicted) | | form | clear liquid | | color | Colorless to Almost colorless | | Water Solubility | Sparingly soluble in water.(0.26 g/L) (25°C), | | InChI | InChI=1S/C7H11F3O/c8-7(9,10)5-1-3-6(11)4-2-5/h5-6,11H,1-4H2 | | InChIKey | VJUJYNJEPPWWHS-UHFFFAOYSA-N | | SMILES | C1(O)CCC(C(F)(F)F)CC1 |
| Hazard Codes | Xi | | Risk Statements | 10-36/37/38 | | Safety Statements | 16-26-36 | | RIDADR | 1993 | | WGK Germany | 3 | | HazardClass | IRRITANT | | HS Code | 2906190090 | | Storage Class | 11 - Combustible Solids |
| | 4-(TRIFLUOROMETHYL)CYCLOHEXANOL Usage And Synthesis |
| Uses | It is used as pharmaceutical intermediate. Benzoylthiophenes are allosteric enhancers (AE) of agonist activity at the A1 adenosine receptor. | | Synthesis | Step A: Synthesis of 4-(trifluoromethyl)cyclohexanol; 4-hydroxytrifluorotoluene (5 g, 30.8 mmol) was placed in a high-pressure hydrogenation reactor, dissolved in acetic acid (15 ml) and platinum oxide (PtO, 500 mg) was added as a catalyst. The reactor was pressurized using hydrogen (50 psi) and the reaction was carried out at room temperature for 16 hours. Upon completion of the reaction, the reaction mixture was filtered through a diatomaceous earth pad to remove the catalyst, and the pH was adjusted by adding 1N sodium hydroxide solution to the filtrate, followed by extraction with diethyl ether. The organic phase was dried over anhydrous magnesium sulfate (MgSO4) and concentrated under reduced pressure at room temperature to afford the target product 4-(trifluoromethyl)cyclohexanol (4.5 g, 87% yield). Mass spectrometry analysis showed [M + H]+ peak of 169, corresponding to the molecular ion peak (M + 1). | | References | [1] Patent: WO2008/7930, 2008, A1. Location in patent: Page/Page column 27
[2] , 1970, vol. 6, # 10, p. 2063 - 2067
[3] Zhurnal Organicheskoi Khimii, 1970, vol. 6, # 10, p. 2055 - 2060 |
| | 4-(TRIFLUOROMETHYL)CYCLOHEXANOL Preparation Products And Raw materials |
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