3,3-Diethyl-2,4-dioxo-5-methylpiperidine
Acenaphthenequinone
CAS: 82-86-0
Molecular Formula: C12H6O2
3,3-Diethyl-2,4-dioxo-5-methylpiperidine - Names and Identifiers
| Name | Acenaphthenequinone |
| Synonyms | ACQ Acenaphthenequinone 1,2-Acenaphthenedione Acenaphthylenequinone acenaphthene-1,2-dione 1,2-acenaphthylenedione ACENAPHTHENCHINON TECHN. acenaphthylene-1,2-dione 3,3-Diethyl-2,4-dioxo-5-methylpiperidine 2,4-Dioxy-3,3-diethyl-5-methylpiperidine |
| CAS | 82-86-0 |
| EINECS | 201-441-3 |
| InChI | InChI=1/C12H8O2/c13-10-6-8-3-1-2-7-4-5-9(11(7)8)12(10)14/h1-3,6H,4-5H2 |
| InChIKey | AFPRJLBZLPBTPZ-UHFFFAOYSA-N |
3,3-Diethyl-2,4-dioxo-5-methylpiperidine - Physico-chemical Properties
| Molecular Formula | C12H6O2 |
| Molar Mass | 182.17 |
| Density | 1.4800 |
| Melting Point | 249-252 °C (dec.) (lit.) |
| Boling Point | 67 C |
| Water Solubility | INSOLUBLE |
| Solubility | Soluble in alcohol; hot benzene; hot toluene, insoluble in water. |
| Appearance | Powder and Granules |
| Color | Ochre |
| BRN | 879172 |
| Storage Condition | Refrigerator |
| Refractive Index | 1.6086 (estimate) |
| MDL | MFCD00003805 |
| Physical and Chemical Properties | Yellow needle-like crystals. Melting point 261 °c (sublimation). Soluble in alcohol, hot benzene, hot toluene, insoluble in water. |
| Use | Quinone is an intermediate of dyes and pesticides. |
3,3-Diethyl-2,4-dioxo-5-methylpiperidine - Risk and Safety
| Hazard Symbols | Xi - Irritant |
| Risk Codes | 36/37/38 - Irritating to eyes, respiratory system and skin. |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36 - Wear suitable protective clothing. S37/39 - Wear suitable gloves and eye/face protection |
| UN IDs | UN 2920 |
| WGK Germany | 3 |
| RTECS | AB1024500 |
| TSCA | Yes |
| HS Code | 29146990 |
| Toxicity | LD50 unr-rat: 728 mg/kg RPTOAN 41,146,78 |
3,3-Diethyl-2,4-dioxo-5-methylpiperidine - Reference Information
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| Introduction | quinone is an aromatic compound, generally yellow crystals, melting point 260~261 ℃, soluble in alcohol. |
| Application | quinone can be used as an intermediate of dyes and pesticides, mainly used in laboratory research and development process and chemical production process. |
| preparation method | in a nitrogen protected No. 1 glass bottle, 20g of Aluminum Bromide and 10ml. (23 . 88mmol) oxalyl bromide was dissolved in 500ml carbon disulfide and stirred in an ethanol bath at -78 °c. 3G (19.2mmol) of 1, 8-dimethylnaphthalene was dissolved in ML-carbon disulfide in a nitrogen-protected No. 2 glass bottle. The solution in the No. 2 vial was dropped into the No. 1 vial by means of a micro-injection pump within 2H. After completion of the dropwise addition, the vial 1 was placed in an ice-water bath at 0 °c for 3H. After completion of the reaction, 500ml. Of deionized water was slowly added dropwise to the No. 1 bottle, and the solvent carbon disulfide was removed by a cold trap at room temperature. The reaction product was extracted from deionized water with dichloromethane to obtain a dichloromethane solution of the product, which was washed with an aqueous solution of hydrochloric acid, sodium bicarbonate and sodium chloride respectively: the dichloromethane solution was three times, and then the dichloromethane solution was rotary evaporated, the solvent dichloromethane was removed to obtain 1.33g of 5, 6-dimethylquinone as a pale yellow solid in mass and yield of 33%. |
| Use | quinone is an intermediate for dyes and pesticides. A quinone-type polycyclic aromatic hydrocarbon with redox activity. |
| production method | obtained by oxidation of sodium dichromate: in a stainless steel reactor with cooling jacket, glacial acetic acid and cerium acetate were stirred and a metered amount of sodium dichromate dihydrate was added over a period of 2H and the temperature was maintained at 40 °c. Stirring was then continued for 8H at room temperature. Dilute with cold water, filter, and wash with water until no acidity. The solid was boiled with 10% sodium carbonate solution on a steam bath for 30min, filtered and washed. The solid was then extracted with sodium bisulfite (4% solution) at 80 °c for 30min and then filter-assisted diatomaceous earth and activated carbon were added and filtered. The extraction was repeated once, and the filtrates were combined and acidified with concentrated hydrochloric acid at 80 ° C. Under constant stirring until the Congo red paper turned blue, and the incubation and stirring at 80 ° C. Were continued for 1H. It was precipitated out as bright yellow crystals, filtered, and washed with water to remove the acidity, and the yield was 38%-60%. Melting Point 256-260 °c. After recrystallization with O-dichlorobenzene and washing with methanol, the melting point can reach 256-260 ℃. Examples of ingredients: Φ100G, 800ml of glacial acetic acid, 5g of cerium acetate, 325g of sodium dichromate dihydrate, 45-70g of product were obtained. |
| category | toxic substances |
| toxicity grade | poisoning |
| Acute toxicity | unknown-rat LD50:728 mg/kg |
| flammability hazard characteristics | flammability; Thermal decomposition releases irritating smoke |
| storage and transportation characteristics | warehouse ventilation and low temperature drying |
| extinguishing agent | dry powder, foam, sand and water |
| toxic substance data | information provided by: pubchem.ncbi.nlm.nih.gov (external link) |
Last Update：2024-04-09 21:11:58
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