6,7,8,9-Tetrahydro-5H-benzocyclohepten-5-one
6,7,8,9-Tetrahydro-5H-benzocyclohepten-5-one
CAS: 826-73-3
Molecular Formula: C11H12O
6,7,8,9-Tetrahydro-5H-benzocyclohepten-5-one - Names and Identifiers
| Name | 6,7,8,9-Tetrahydro-5H-benzocyclohepten-5-one |
| Synonyms | 1-Benzosuberone 1-Benzosuberanone 2,3-Benzosuberone 5-Benzocycloheptanone 6,7,8,9-tetrahydrobenzo[7]annulen-5-one 6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-one 6,7,8,9-Tetrahydro-5H-benzocyclohepten-5-one 5H-Benzocyclohepten-5-one, 6,7,8,9-tetrahydro- 6,7,8,9-Tetrahydro-5H-benzo[a]cyclohepten-5-one |
| CAS | 826-73-3 |
| EINECS | 212-558-4 |
| InChI | InChI=1/C11H12O/c12-11-8-4-2-6-9-5-1-3-7-10(9)11/h1,3,5,7H,2,4,6,8H2 |
6,7,8,9-Tetrahydro-5H-benzocyclohepten-5-one - Physico-chemical Properties
| Molecular Formula | C11H12O |
| Molar Mass | 160.21 |
| Density | 1.071 g/mL at 25 °C (lit.) |
| Melting Point | 202 °C |
| Boling Point | 270 °C (lit.) |
| Flash Point | >230°F |
| Vapor Presure | 0.00552mmHg at 25°C |
| Appearance | clear liquid |
| Color | Colorless to Light orange to Yellow |
| BRN | 636823 |
| Storage Condition | Sealed in dry,Room Temperature |
| Refractive Index | n20/D 1.564(lit.) |
| MDL | MFCD00004144 |
6,7,8,9-Tetrahydro-5H-benzocyclohepten-5-one - Risk and Safety
| Safety Description | 24/25 - Avoid contact with skin and eyes. |
| WGK Germany | 3 |
| HS Code | 29143990 |
6,7,8,9-Tetrahydro-5H-benzocyclohepten-5-one - Reference Information
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| Introduction | 1-benzocycloheptanone and its analogous benzo-cycloketones all contain α,β-unsaturated cyclic ketones, therefore, it has a wide range of biological activities, such as anticancer, antibacterial, antiviral, antihypertensive, regulating plant growth and so on. It is an important pharmaceutical and fine chemical intermediates, it can be used to prepare 2-aminothiazole and its amide derivatives, and can also be used to construct organic synthetic blocks such as α-allyl ketones and β-amino ketones. |
| preparation | equipped with thermometer, mechanical stirring, reflux tube, add 332.3g δ-pentolactone and 2.33L benzene to the 5L three-mouth bottle of the tail gas receiving device, turn on stirring, add 1.77kg anhydrous aluminum chloride in batches at room temperature, and control the addition within 2H, the reaction temperature was controlled at 80 ℃, and the reaction time was controlled at 14H. The reaction was completely determined by TLC, then the reaction was stopped, and cooled to room temperature, the reaction system was slowly poured into a mixture of 8kg of crushed ice and 1.4L of concentrated hydrochloric acid, stirred, and separated. The aqueous phase is extracted once with 2L toluene; The organic phase is combined, and the organic phase is washed with 10% NaOH solution by mass and 1L of water respectively. The organic phase is dried with sodium sulfate powder, suction filtered, and concentrated under reduced pressure to remove the organic solvent, distillation under reduced pressure was carried out to collect the fractions from 178 ° C. To 182 ° C. To obtain 456.4g of crude product, and 378.6g of 1-benzocycloheptanone was obtained by secondary rectification (20cm Wechsler fractionation column), with a yield of 71.2% and a purity of 98.9%. |
Last Update：2024-04-09 21:11:58
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