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CAS No.: | 4645-15-2 |
---|---|
Name: | 1,1'-Oxybis(cyclohexane) |
Article Data: | 101 |
Molecular Structure: | |
Formula: | C12H22O |
Molecular Weight: | 182.306 |
Synonyms: | Cyclohexylether (7CI,8CI);Dicyclohexyl ether;NSC 17519;1,1'-Oxybis(cyclohexane); |
EINECS: | 225-075-9 |
Density: | 0.92 g/cm3 |
Melting Point: | -36°C |
Boiling Point: | 242.5 °C at 760 mmHg |
Flash Point: | 93.9 °C |
PSA: | 9.23000 |
LogP: | 3.66840 |
Conditions | Yield |
---|---|
With 1,1,3,3-Tetramethyldisiloxane; copper(II) bis(trifluoromethanesulfonate) In dichloromethane at 20℃; for 1h; | 97% |
With triethylsilane; 1-methyl-1-phenylethyl alcohol; ytterbium(III) triflate In 1,2-dichloro-ethane for 24h; Reagent/catalyst; Reflux; | 88% |
With trimethylsilan; trimethylsilyl trifluoromethanesulfonate In dichloromethane 0 deg C, 30 min. then 28 deg C, 14 h.; | 86% |
Conditions | Yield |
---|---|
With copper acetylacetonate; carbon tetrabromide at 150℃; for 8h; Inert atmosphere; Sealed tube; | 95% |
With yttrium iron garnet In neat (no solvent) at 80℃; for 0.25h; Green chemistry; | 91% |
With sulfuric acid; silica gel In hexane for 0.333333h; Heating; | 85% |
Conditions | Yield |
---|---|
With triethylsilane; trimethylsilyl trifluoromethanesulfonate In dichloromethane at -78 - -30℃; | 95% |
With triethylsilane; 1,1,1,2,2,2-hexamethyldisilane; iodine In dichloromethane | 75% |
Conditions | Yield |
---|---|
With triethylsilane; ytterbium(III) triflate In 1,2-dichloro-ethane for 24h; Reflux; | 91% |
With hydrogenchloride; hydrogen; platinum(IV) oxide |
Conditions | Yield |
---|---|
With copper acetylacetonate; Bromotrichloromethane at 150℃; for 8h; Inert atmosphere; Sealed tube; | A 88% B 10% |
With carbon tetrabromide; copper(I) bromide at 150℃; for 8h; Reagent/catalyst; Inert atmosphere; Sealed tube; | A 21% B 44% |
(cyclohex-1-en-1-yloxy)benzene
A
dicyclohexyl ether
B
cyclohexylphenyl ether
C
N-phenyl-2-cyclohexylamine
Conditions | Yield |
---|---|
With sodium tetrahydroborate; 10 wt% Pd(OH)2 on carbon; ammonia In water; m-xylene at 150℃; for 24h; Inert atmosphere; Sealed tube; | A 6% B 85% C 7% |
triethylsilane
cyclohexanone
A
hexaethyl disiloxane
B
dicyclohexyl ether
C
triethyl-cyclohexyloxy-silane
Conditions | Yield |
---|---|
With Fe-montmorillonite (Fe-Mn) (solid acid) In dichloromethane for 0.5h; Product distribution; Mechanism; Ambient temperature; other ketones, aldehydes and esters; other hydrosilanes; var. solid acids and bases; trifluoromethanesulfonic acid and its salt; | A n/a B 81% C 7% |
Conditions | Yield |
---|---|
With hydrogen In neat (no solvent) at 80℃; under 2964.2 Torr; for 24h; Autoclave; | 76% |
With kieselguhr; nickel at 150℃; under 117681 Torr; Hydrogenation; | |
With hydrogen; Ru-carbon at 100℃; under 387861 Torr; |
Conditions | Yield |
---|---|
With Montmorillonite K 10 for 6h; Heating; | A 0.7 % Chromat. B 76% |
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The IUPAC name of 1,1'-Oxybis(cyclohexane) is cyclohexyloxycyclohexane. With the CAS registry number 4645-15-2, it is also named as Dicyclohexyl ether. In addition, its molecular formula is C12H22O and molecular weight is 182.30248.
The other characteristics of 1,1'-Oxybis(cyclohexane) can be summarized as: (1)EINECS: 225-075-9; (2)ACD/LogP: 4.04; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): 4.04; (5)ACD/LogD (pH 7.4): 4.04; (6)ACD/BCF (pH 5.5): 689.74; (7)ACD/BCF (pH 7.4): 689.74; (8)ACD/KOC (pH 5.5): 3745.68; (9)ACD/KOC (pH 7.4): 3745.68; (10)#H bond acceptors: 1; (11)#H bond donors: 0; (12)#Freely Rotating Bonds: 2; (13)Index of Refraction: 1.473; (14)Molar Refractivity: 55.21 cm3; (15)Molar Volume: 196.8 cm3; (16)Surface Tension: 31.9 dyne/cm; (17)Density: 0.92 g/cm3; (18)Flash Point: 93.9 °C; (19)Enthalpy of Vaporization: 46.01 kJ/mol; (20)Boiling Point: 242.5 °C at 760 mmHg; (21)Vapour Pressure: 0.0526 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES: O(C1CCCCC1)C2CCCCC2
(2)InChI: InChI=1/C12H22O/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h11-12H,1-10H2
(3)InChIKey: OCDXZFSOHJRGIL-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C12H22O/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h11-12H,1-10H2
(5)Std. InChIKey: OCDXZFSOHJRGIL-UHFFFAOYSA-N