Ethyl 2-oxo-1-cyclooctanecarboxylate
2-oxycloctylalkanethyl formate · ethyl2-oxocyclooctane-1-carboxylate · ETHYL 2-OXO-1-CYCLOOCTANECARBOXYLATE · Ethyl 2-oxo-1-cyclooctanecarboxylate 97% · Ethyl 2-oxo-1-cyclooctane-carboxylate, 98+% · Cyclooctanecarboxylic acid, 2-oxo-, ethyl ester
식별자 및 물리적 특성
| CAS No. | 4017-56-5 |
|---|---|
| 분자식 | C11H18O3 |
| 평균 분자량 | 198.262 g/mol |
| 단동위원소 질량 | 198.12559444 g/mol |
| SMILES | CCOC(=O)C1CCCCCCC1=O |
| InChIKey | OJCDCHCBNASPBS-UHFFFAOYSA-N |
| PubChem CID | 227421 |
| EC No. | 980-352-8 |
| DTXSID | DTXSID70280892 |
화학 및 물리적 성질
| 끓는 점 | 85-87 °C/0.1 mmHg (lit.) |
|---|---|
| 밀도 | 1.04 g/mL at 25 °C (lit.) |
| 굴절률 | n20/D 1.483(lit.) |
| 인화점 | >230 °F |
| 물리적 상태 | 액체 |
| pKa(산도 계수) | 12.32±0.20(Predicted) |
| 색상 | 무색의 |
| InChI | 1S/C11H18O3/c1-2-14-11(13)9-7-5-3-4-6-8-10(9)12/h9H,2-8H2,1H3 |
| InChIKey | OJCDCHCBNASPBS-UHFFFAOYSA-N |
| SMILES | CCOC(=O)C1CCCCCCC1=O |
화학적 성질
clear colorless liquid
안전 및 규제
| 수질 위해 등급(WGK) | 3 |
|---|---|
| 관세 코드 | 29183000 |
| 안전 문구(S) | 24/25 |
| 저장 분류 | 10 - Combustible liquids |
용도
용도
Ethyl 2-oxo-1-cyclooctanecarboxylate (2-carbethoxycyclooctanone) may be used in the synthesis of 2-carbethoxy-2-cyclooctenone.
일반 설명
Ethyl 2-oxo-1-cyclooctanecarboxylate (2-carbethoxycyclooctanone) is a β-keto ester. It undergoes Michael addition with 3-buten-2-one (methyl vinyl ketone, MVK) in the presence of potassium bis(1,2-benzenediolato)phenylsilicate to afford the corresponding 1,4-adduct. It can be synthesized from cycloheptanone. Its boiling point, density and refractive index have been determined.