Benzylacetone
Benzylacetone
CAS: 2550-26-7
Molecular Formula: C10H12O
Benzylacetone - Names and Identifiers
| Name | Benzylacetone |
| Synonyms | Benzylacetone 4-Phenyl-2-butanone 4-phenylbutan-2-one methyl phenethyl ketone Benzylacetone, (4-Phenyl-2-butanone) |
| CAS | 2550-26-7 |
| EINECS | 219-847-4 |
| InChI | InChI=1/C10H12O/c1-9(11)7-8-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3 |
Benzylacetone - Physico-chemical Properties
| Molecular Formula | C10H12O |
| Molar Mass | 148.202 |
| Density | 0.972g/cm3 |
| Melting Point | -13°C |
| Boling Point | 233.5°C at 760 mmHg |
| Flash Point | 98.3°C |
| Water Solubility | PRACTICALLY INSOLUBLE |
| Vapor Presure | 0.0557mmHg at 25°C |
| Appearance | Shape Liquid color Clear colorless to pale yellow |
| Storage Condition | Sealed in dry,Room Temperature |
| Refractive Index | 1.503 |
| Physical and Chemical Properties | Colorless liquid. Boiling point 235 ℃,115 ℃(1.73kPa), relative density 0.985(22/4 ℃), refractive index 1.511(22 ℃), flash point 98 ℃. |
| Use | Used as an intermediate in the synthesis of pharmaceuticals |
Benzylacetone - Risk and Safety
| Hazard Symbols | Xi - Irritant |
| Risk Codes | R38 - Irritating to the skin |
| Safety Description | S37 - Wear suitable gloves. |
| WGK Germany | 1 |
| RTECS | EL9600000 |
| TSCA | Yes |
| HS Code | 29143900 |
| Toxicity | LD50 orally in Rabbit: 3200 mg/kg |
Benzylacetone - Upstream Downstream Industry
Benzylacetone - Preparation
benzyl acetone is mainly used to mix flavors, fragrances and pharmaceutical intermediates.
The traditional production method of benzyl acetone is as follows:
(1) It is obtained by condensation, hydrolysis, and decarbon dioxide of benzyl chloride;
(2) benzylidene acetone is synthesized from benzaldehyde and acetone, and then benzyl acetone is obtained by hydrogenation reduction. The traditional production method of benzyl acetone has many steps and complexity, and the equipment and capital investment are large. The process produces a large amount of waste salt water, which is difficult to treat and brings huge environmental pressure to the enterprise.
Preparation
Method 1: The synthesis method of benzyl acetone, including the following steps:
(1) Add aluminum trichloride (150g,1.1mol) and the first part of benzene (350g) to a four-mouth bottle equipped with stirring, reflux condenser and thermometer, and stir evenly at a temperature of 30-35 ℃;
(2) Add the mixture of butenone (73g,1mol) and the second part of benzene (150g) to the dropping funnel in step (1), control the reaction temperature at 30-35°C, and drop the second part of the mixture of benzene and butenone in 2.5-3 hours, continue the reaction for 0.5 hours, add water to wash, recover the benzene, and refine in an oil bath, 99.95g was collected at 80-85 ℃(50pa). The content of benzylacetone was 98.97% detected by GC, and the yield was 66.84%.
method 2: add 320ml of 60% cyclohexane, 1.3mol of stannous chloride and ethyl acetoacetate in batches to the reaction container equipped with agitator, reflux condenser, dropping funnel and thermometer
2.3mol, control stirring speed 130rpm, react for 60min, raise the solution temperature to 65 ℃, reflux for 3h, dropwise addition of benzyl amine 2.6mol, dropwise addition time control for 3h, reflux reaction for 3h, generate intermediate products, reduce the solution temperature to 10 ℃, add 330ml of potassium bisulfite solution with mass fraction of 30%, keep reflux for 4h, and generate oil, add the mass fraction of 20% oxalic acid to adjust the pH of the solution to 4, continue to reflux for 4 hours, 1.13kPa reduced pressure distillation, collect the fraction at 95-105 ℃, wash with sodium nitrate solution, wash with 70% acetonitrile, recrystallize in 90% nitromethane to obtain 241.68g crystalline benzylacetone with 71% yield.
Production method
(1) It is obtained by condensation, hydrolysis and decarbon dioxide of benzyl chloride.
(2) benzylidene acetone is synthesized from benzaldehyde and acetone, and then 4-phenylbutanone -2 is obtained by hydrogenation reduction. Preparation of 4-Phenylbutanone -2 Ethanol (9500ml), benzylideneacetone (480g), Raney Ni(48g), and an appropriate amount of acetic acid were put into a reaction bottle, the temperature was controlled at 48-50 ℃, and hydrogen was stirred and absorbed at normal pressure to a sufficient amount. The reaction was 4-5h. Filter out Raney Ni. The filtrate was evaporated to ethanol, distilled under reduced pressure, and the fraction at 123-125 ℃(2.67kPa) was collected to obtain 4-phenylbutanone -2 as 465.8g. The refractive index is 1.513 and the yield is 95.7%.
Last Update：2024-04-10 22:29:15
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Raw Materials for Benzylacetone
Downstream Products for Benzylacetone