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| CAS No.: | 5019-82-9 |
|---|---|
| Name: | Bicyclo[3.2.1]octan-2-one |
| Article Data: | 32 |
| Molecular Structure: | |
|
|
|
| Formula: | C8H12O |
| Molecular Weight: | 124.183 |
| Synonyms: | Bicyclo[3.2.1]octan-2-one,(?à)- (6CI,7CI,8CI);(?à)-Bicyclo[3.2.1]octan-2-one;NSC657806; |
| EINECS: | 225-704-7 |
| Density: | 1.039 g/cm3 |
| Melting Point: | 118-124 |
| Boiling Point: | 201.6 °C at 760 mmHg |
| Flash Point: | 68.7 °C |
| Appearance: | white crystalline powder |
| Hazard Symbols: |
 Xi
|
| PSA: | 17.07000 |
| LogP: | 1.76560 |
- 5156-58-1N-(1-Benzyl-4-pipperidinyl)-N-phenylpropanamide HCl
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- 852475-26-4MC1568
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- 99170-93-1N-Methyl-2-oxazolamine
- 717878-06-31-(4-fluorophenyl)-4-nitro-1H-imidazole
| Conditions | Yield |
|---|---|
| With chromium(VI) oxide; acetic acid | 79% |
| Conditions | Yield |
|---|---|
| With chromium(VI) oxide; acetic acid | |
| With pyridine; chromium(VI) oxide |
- 823-02-9, 61617-43-4
bicyclo[3.2.1]oct-2-ene
- 5019-82-9
bicyclo[3.2.1]octan-2-one
| Conditions | Yield |
|---|---|
| (i) (UV-irradiation), toluene, AcOH, (ii) LiAlH4, Et2O, (iii) CrO3, aq. H2SO4; Multistep reaction; |
- 23392-00-9
optically inactive 6-hydroxy-bicyclo[3.2.1]octane
- 5019-82-9
bicyclo[3.2.1]octan-2-one
| Conditions | Yield |
|---|---|
| With chromium(VI) oxide |
- 91333-52-7
N-Aethoxycarbonyl-2-(4-oxo-cyclohexyl)-aethylamin
- 5019-82-9
bicyclo[3.2.1]octan-2-one
| Conditions | Yield |
|---|---|
| (i) N2O4, (ii) K2CO3, MeOH, CH2Cl2; Multistep reaction; |
- 5019-82-9
bicyclo[3.2.1]octan-2-one
| Conditions | Yield |
|---|---|
| (oxidation); |
- 5019-82-9
bicyclo[3.2.1]octan-2-one
| Conditions | Yield |
|---|---|
| (i) Hg(OAc)2, aq. AcOH, (ii) H2S; Multistep reaction; |
- 76042-05-2
(1S,2S,4S,5R)-Tricyclo[3.2.1.02,4]octan-2-ol
A
- 5019-82-9
bicyclo[3.2.1]octan-2-one
B
- 643-51-6
3-methylbicyclo[2.2.1]heptan-2-one
| Conditions | Yield |
|---|---|
| With potassium tert-butylate In tert-butyl alcohol at 25℃; for 0.166667h; | A 90 % Chromat. B 10 % Chromat. |
| With potassium tert-butylate In tert-butyl alcohol at 82℃; for 0.166667h; | A 85 % Chromat. B 15 % Chromat. |
A
- 14252-05-2
bicyclo[3.2.1]octan-3-one
B
- 5019-82-9
bicyclo[3.2.1]octan-2-one
| Conditions | Yield |
|---|---|
| With sodium hydroxide; hydroxy(tosyloxy)iodobenzene; iodine 1.) CH3CN, rt., 18 h; 2.) CH3OH, 24 h, reflux; Yield given. Multistep reaction. Yields of byproduct given; |
- 5019-82-9
bicyclo[3.2.1]octan-2-one
| Conditions | Yield |
|---|---|
| With potassium dichromate; sulfuric acid |
- Total:32 Page 1 of 1 1
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Specification
The Bicyclo[3.2.1]octan-2-one, with the CAS registry number 5019-82-9 and EINECS registry number 225-704-7, is a kind of white crystalline powder, and it also irritants to people. The molecular formula of the chemical is C8H12O.
The characteristics of Bicyclo[3.2.1]octan-2-one are as followings: (1)ACD/LogP: 1.18; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.18; (4)ACD/LogD (pH 7.4): 1.18; (5)ACD/BCF (pH 5.5): 4.65; (6)ACD/BCF (pH 7.4): 4.65; (7)ACD/KOC (pH 5.5): 104.49; (8)ACD/KOC (pH 7.4): 104.49; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.499; (14)Molar Refractivity: 35.07 cm3; (15)Molar Volume: 119.4 cm3; (16)Polarizability: 13.9×10-24cm3; (17)Surface Tension: 35.9 dyne/cm; (18)Density: 1.039 g/cm3; (19)Flash Point: 68.7 °C; (20)Enthalpy of Vaporization: 43.78 kJ/mol; (21)Boiling Point: 201.6 °C at 760 mmHg; (22)Vapour Pressure: 0.305 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C1CCC2CC1CC2
(2)InChI: InChI=1/C8H12O/c9-8-4-2-6-1-3-7(8)5-6/h6-7H,1-5H2
(3)InChIKey: SXFPXZSENHPCSH-UHFFFAOYAI