spiro[1,3-benzodioxole-2,1'-cyclohexane]

The Spiro[1,3-benzodioxole-2,1-cyclohexane] with CAS registry number of 182-55-8 is also known as Spiro[benzo[d]1,3-dioxolane-2,1'-cyclohexane]. The IUPAC name is Spiro[1,3-benzodioxole-2,1'-cyclohexane]. Its EINECS registry number is 205-873-3. In addition, the formula is C₁₂H₁₄O₂ and the molecular weight is 190.24.

Physical properties about Spiro[1,3-benzodioxole-2,1-cyclohexane] are: (1)ACD/LogP: 4.11; (2)ACD/LogD (pH 5.5): 4.1; (3)ACD/LogD (pH 7.4): 4.1; (4)ACD/BCF (pH 5.5): 775.24; (5)ACD/BCF (pH 7.4): 775.24; (6)ACD/KOC (pH 5.5): 4072.49; (7)ACD/KOC (pH 7.4): 4072.49; (8)#H bond acceptors: 2; (9)Index of Refraction: 1.573; (10)Molar Refractivity: 53.93 cm³; (11)Molar Volume: 163.6 cm³; (12)Surface Tension: 43.4 dyne/cm; (13)Density: 1.16 g/cm³; (14)Flash Point: 131.7 °C; (15)Enthalpy of Vaporization: 50.26 kJ/mol; (16)Boiling Point: 284.6 °C at 760 mmHg; (17)Vapour Pressure: 0.00506 mmHg at 25 °C.

Preparation of Spiro[1,3-benzodioxole-2,1-cyclohexane]: it is prepared by reaction of benzene-1,2-diol with cyclohexanone. The reaction needs reagent montmorillonite KSF and solvent benzene with other condition of heating for 2.7 hours. The yield is about 93%.

Uses of Spiro[1,3-benzodioxole-2,1-cyclohexane]: it is used to produce benzene-1,2-diol. The reaction occurs with reagent NaN(C₂H₅)₂ and solvents benzene, hexamethylphosphoric acid triamide with other condition of heating for 12 hours. The yield is about 83%.

You can still convert the following datas into molecular structure:
1. SMILES: O1c3ccccc3OC12CCCCC2
2. InChI: InChI=1/C12H14O2/c1-4-8-12(9-5-1)13-10-6-2-3-7-11(10)14-12/h2-3,6-7H,1,4-5,8-9H2
3. InChIKey: SPXULWFZNXFRHI-UHFFFAOYAF
4. Std. InChI: InChI=1S/C12H14O2/c1-4-8-12(9-5-1)13-10-6-2-3-7-11(10)14-12/h2-3,6-7H,1,4-5,8-9H2
5. Std. InChIKey: SPXULWFZNXFRHI-UHFFFAOYSA-N