ethyl (1S)-2-oxocyclohexanecarboxylate
Ethyl 2-cyclohexanonecarboxylate
CAS: 1655-07-8
Molecular Formula: C9H14O3
ethyl (1S)-2-oxocyclohexanecarboxylate - Names and Identifiers
ethyl (1S)-2-oxocyclohexanecarboxylate - Physico-chemical Properties
| Molecular Formula | C9H14O3 |
| Molar Mass | 170.21 |
| Density | 1.064 g/mL at 25 °C (lit.) |
| Melting Point | 101 °C |
| Boling Point | 106 °C/11 mmHg (lit.) |
| Flash Point | 185°F |
| Water Solubility | Soluble in water. |
| Solubility | Chloroform (Sparingly), Methanol (Sparingly) |
| Vapor Presure | 8.7Pa at 25℃ |
| Appearance | Oil |
| Color | Colourless |
| BRN | 608356 |
| pKa | 12.06±0.20(Predicted) |
| Storage Condition | Inert atmosphere,Room Temperature |
| Refractive Index | n20/D 1.477(lit.) |
ethyl (1S)-2-oxocyclohexanecarboxylate - Risk and Safety
| Hazard Symbols | Xi - Irritant |
| Risk Codes | 36/37/38 - Irritating to eyes, respiratory system and skin. |
| Safety Description | S23 - Do not breathe vapour. S24/25 - Avoid contact with skin and eyes. S37/39 - Wear suitable gloves and eye/face protection S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36 - Wear suitable protective clothing. |
| WGK Germany | 3 |
| TSCA | Yes |
| HS Code | 29183000 |
| Hazard Class | IRRITANT |
ethyl (1S)-2-oxocyclohexanecarboxylate - Reference Information
| LogP | 1.08 |
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| Application | ethyl 2-cyclohexanone formate is a brown oily liquid, it is obtained by extracting hydrogen with sodium hydrogen and then reacting with diethyl carbonate. It has been reported in the literature that it can be used to prepare a decabromodiphenyl ether labeled with radioactive carbon -14 using ethyl 2-cyclohexanone formate. |
| preparation | add diethyl carbonate (1.2 mL, mol) and ML of dry tetrahydrofuran to a ML three-necked flask, naH (60%,63G, 1.6mol) was added with stirring and the reaction was refluxed for 1h before the dropwise addition of cyclohexanone (50ml, 0.48mol) in THF (50ml) was started over about 0.5h. Reflux was continued for 1.5h after the addition was completed. After cooling, it was adjusted to Neutral with 3N hydrochloric acid, then poured into brine and extracted with dichloromethane (75ml x 3). The organic layer was dried and distilled under reduced pressure to give a brown oily liquid (66G, yield 80%) as crude ethyl 2-cyclohexanone formate, which was directly used for the next reaction. |
Last Update：2024-04-10 22:29:15
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View History
ethyl (1S)-2-oxocyclohexanecarboxylate
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2-mesitylpropene
葫萝卜油
Brunac
依维莫司杂质12
R-4-Boc-2-甲基哌嗪
D-4'-四氢吡喃甘氨酸
7-methoxy-2,2,4-trimethyl-1H-quinoline
VANAX 829
CIS-2 3-DIPHENYL-1-PROPYLAZIRIDINE 97