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Cas Database |
| Name |
Ethyl 3-cyclopentyl-3-oxopropanoate |
EINECS | N/A |
| CAS No. | 24922-00-7 | Density | 1.065 g/cm3 |
| PSA | 43.37000 | LogP | 1.69890 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C10H16O3 | Boiling Point | 255.3 °C at 760 mmHg |
| Molecular Weight | 184.235 | Flash Point | 106.1 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Cyclopentanepropionicacid, b-oxo-, ethyl ester (8CI);Ethyl3-Cyclopentyl-3-oxopropanoate;Ethyl 3-cyclopentyl-3-oxopropionate; |
Article Data | 14 |
Ethyl 3-cyclopentyl-3-oxopropanoate Synthetic route
- 71911-64-3
6-bicyclo<3.1.0>hexan-6-ol
- 24922-00-7
ethyl 3-cyclopentyl-3-oxopropionate
| Conditions | Yield |
|---|---|
| In neat (no solvent) at 110℃; | 99% |
- 811467-21-7
3-cyclopentyl-2-diazo-3-hydroxy-propionic acid ethyl ester
- 24922-00-7
ethyl 3-cyclopentyl-3-oxopropionate
| Conditions | Yield |
|---|---|
| With copper(II) sulfate at 20℃; for 3h; | 91% |
- 4524-93-0
Cyclopentanecarboxylic acid chloride
- 24922-00-7
ethyl 3-cyclopentyl-3-oxopropionate
| Conditions | Yield |
|---|---|
| Stage #1: hydrogen ethyl malonate With [2,2]bipyridinyl; n-butyllithium In hexanes at -65 - -55℃; Stage #2: Cyclopentanecarboxylic acid chloride In hexanes at 20℃; | 89% |
| Multi-step reaction with 2 steps 1: pyridine / CH2Cl2 / 2 h / 0 - 20 °C 2: toluene / 24 h / 80 °C View Scheme |
- 4524-93-0
Cyclopentanecarboxylic acid chloride
- 6148-64-7
ethyl potassium malonate
- 24922-00-7
ethyl 3-cyclopentyl-3-oxopropionate
| Conditions | Yield |
|---|---|
| With triethylamine; magnesium chloride In acetonitrile at 0℃; for 4h; | 77% |
- 71911-61-0
6-bicyclo<3.1.0>hexan-6-ol
- 24922-00-7
ethyl 3-cyclopentyl-3-oxopropionate
| Conditions | Yield |
|---|---|
| at 300℃; for 1h; | 52% |
- 412018-99-6
2-cyclopentanecarbonyl-3-oxo-butyric acid ethyl ester
- 24922-00-7
ethyl 3-cyclopentyl-3-oxopropionate
| Conditions | Yield |
|---|---|
| With diethyl ether; ammonia |
- 6004-60-0
1-cyclopentylethanone
- 105-58-8
Diethyl carbonate
- 24922-00-7
ethyl 3-cyclopentyl-3-oxopropionate
| Conditions | Yield |
|---|---|
| With sodium amide |
- 64-17-5
ethanol
- 134302-12-8
5-(cyclopentanecarbonyl)2,2-dimethyl-1,3-dioxane-4,6-dione
- 24922-00-7
ethyl 3-cyclopentyl-3-oxopropionate
| Conditions | Yield |
|---|---|
| In toluene at 80℃; for 24h; Yield given; |
- 105-53-3
diethyl malonate
- 24922-00-7
ethyl 3-cyclopentyl-3-oxopropionate
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: 1) Na / 1. benzene, reflux, 8 h; 2. 2h at 0 deg C, then 6 h room temp. 2: 52 percent / 1 h / 300 °C View Scheme |
- 4524-93-0
Cyclopentanecarboxylic acid chloride
- 141-78-6
ethyl acetate
- 24922-00-7
ethyl 3-cyclopentyl-3-oxopropionate
| Conditions | Yield |
|---|---|
| Stage #1: ethyl acetate With n-butyllithium; diisopropylamine In tetrahydrofuran; hexane at -78℃; for 0.0833333h; Inert atmosphere; Stage #2: Cyclopentanecarboxylic acid chloride In tetrahydrofuran; hexane at -78℃; for 0.0833333h; |
Ethyl 3-cyclopentyl-3-oxopropanoate Specification
The CAS register number of Ethyl 3-cyclopentyl-3-oxopropanoate is 24922-00-7. It also can be called as Cyclopentanepropanoicacid, b-oxo-, ethyl ester and the IUPAC name about this chemical is ethyl 3-cyclopentyl-3-oxopropanoate. The molecular formula about this chemical is C10H16O3 and molecular weight is 184.23 .
Physical properties about Ethyl 3-cyclopentyl-3-oxopropanoate are: (1)ACD/LogP: 2.21; (2)ACD/LogD (pH 5.5): 2.21; (3)ACD/LogD (pH 7.4): 2.21; (4)ACD/BCF (pH 5.5): 28.23; (5)ACD/BCF (pH 7.4): 28.21; (6)ACD/KOC (pH 5.5): 380.19; (7)ACD/KOC (pH 7.4): 379.9; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 5; (10)Polar Surface Area: 43.37Å2; (11)Index of Refraction: 1.466; (12)Molar Refractivity: 47.93 cm3; (13)Molar Volume: 172.9 cm3; (14)Polarizability: 19x10-24cm3; (15)Surface Tension: 38 dyne/cm; (16)Enthalpy of Vaporization: 49.27 kJ/mol; (17)Boiling Point: 255.3 °C at 760 mmHg; (18)Vapour Pressure: 0.0165 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(CC(=O)OCC)C1CCCC1
(2)InChI: InChI=1/C10H16O3/c1-2-13-10(12)7-9(11)8-5-3-4-6-8/h8H,2-7H2,1H3
(3)InChIKey: MUDKQMLLCRJCEY-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C10H16O3/c1-2-13-10(12)7-9(11)8-5-3-4-6-8/h8H,2-7H2,1H3
(5)Std. InChIKey: MUDKQMLLCRJCEY-UHFFFAOYSA-N
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