trans-4-(Trifluoromethyl)cyclohexanol Chemical Properties

Boiling point:

160.4±35.0 °C(Predicted)

Density 

1.231±0.06 g/cm3(Predicted)

storage temp. 

2-8°C

pka

14.88±0.40(Predicted)

Appearance

Colorless to light yellow Solid

InChI

InChI=1S/C7H11F3O/c8-7(9,10)5-1-3-6(11)4-2-5/h5-6,11H,1-4H2/t5-,6-

InChIKey

VJUJYNJEPPWWHS-IZLXSQMJSA-N

SMILES

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

Safety Information

HS Code 

2906190090

trans-4-(Trifluoromethyl)cyclohexanol Usage And Synthesis

Synthesis

Step A: Synthesis of 4-trifluoromethylcyclohexanol; 4-hydroxytrifluorotoluene (5 g, 30.8 mmol) was placed in an autoclave 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 for 16 h at room temperature. Upon completion of the reaction, the reaction mixture was filtered through a bed of diatomaceous earth and the filtrate was neutralized with 1N sodium hydroxide solution and subsequently extracted with diethyl ether. The organic phase was dried over anhydrous magnesium sulfate (MgSO4) and concentrated in vacuum at room temperature to give trans-4-(trifluoromethyl)cyclohexanol (4.5 g, 87% yield). MS [M + H]+ = 169 (corresponding to M + 1).

References

[1] Patent: WO2008/7930, 2008, A1. Location in patent: Page/Page column 27
[2] Journal of Organic Chemistry USSR (English Translation), 1970, vol. 6, # 10, p. 2063 - 2067
[3] Zhurnal Organicheskoi Khimii, 1970, vol. 6, # 10, p. 2055 - 2060

trans-4-(Trifluoromethyl)cyclohexanol (75091-93-9)Related Product Information

• 4-(TRIFLUOROMETHYL)CYCLOHEXANOL