Propanedioic acid, (1,1-dimethylethyl)-, diethyl ester
diethyl tert-butylmalonate
CAS: 759-24-0
Molecular Formula: C11 H20 O4
Propanedioic acid, (1,1-dimethylethyl)-, diethyl ester - Names and Identifiers
| Name | diethyl tert-butylmalonate |
| Synonyms | AURORA KA-6574 Diethyl t-butylmalonate diethyl tert-butylmalonate DIETHYL TERT-BUTYLMALONATE Diethyl 2-tert-butylmalonate diethyl tert-butylpropanedioate diethyl (1,1-dimethylethyl)malonate tert-Butylmalonic acid diethyl ester 1,1-dimethylethylpropandioc acid diethyl ester (1,1-Dimethylethyl)propanedioic acid diethyl ester Propanedioic acid, (1,1-dimethylethyl)-, diethyl ester |
| CAS | 759-24-0 |
| EINECS | 212-067-5 |
| InChI | InChI=1/C11H20O4/c1-6-14-9(12)8(11(3,4)5)10(13)15-7-2/h8H,6-7H2,1-5H3 |
Propanedioic acid, (1,1-dimethylethyl)-, diethyl ester - Physico-chemical Properties
| Molecular Formula | C11 H20 O4 |
| Molar Mass | 216.27 |
| Density | 1.014 g/mL at 25 °C (lit.) |
| Boling Point | 102-104 °C/11 mmHg (lit.) |
| Flash Point | 195°F |
| Water Solubility | Immiscible with water. |
| Vapor Presure | 0.102mmHg at 25°C |
| BRN | 1781709 |
| pKa | 13.74±0.46(Predicted) |
| Storage Condition | Room Temprature |
| Refractive Index | n20/D 1.425(lit.) |
Propanedioic acid, (1,1-dimethylethyl)-, diethyl ester - Risk and Safety
| Safety Description | S23 - Do not breathe vapour. S24/25 - Avoid contact with skin and eyes. |
| WGK Germany | 3 |
Propanedioic acid, (1,1-dimethylethyl)-, diethyl ester - Introduction
diethyl tert-butylmalonate is an organic compound with the chemical formula C12H22O4. Its nature is as follows:
1. Appearance: diethyl tert-butylmalonate is a colorless to light yellow liquid.
2. Solubility: It is soluble in organic solvents such as ethanol, ether and benzene, but insoluble in water.
diethyl tert-butylmalonate have the following main uses:
1. Organic synthesis: It is often used as a reagent and intermediate in organic synthesis. It can be methacrylate or alcohols and other nucleophilic reagents for addition reaction to generate the corresponding compounds.
2. Drug research: diethyl tert-butylmalonate is also used in the field of drug research. It can be used to synthesize specific drug molecular scaffolds, such as anti-cancer and anti-inflammatory drugs.
The method for preparing diethyl tert-butylmalonate is as follows:
1. Transesterification reaction of tert-butylmalonic acid diester and ethanol anhydride: The tert-butylmalonic acid diester is reacted with ethanol anhydride to obtain diethyl tert-butylmalonate through transesterification reaction.
Safety Information:
1. It is irritating to the skin and eyes, so care should be taken to avoid contact during use.
2. diethyl tert-butylmalonate is a flammable liquid, avoid contact with fire and high temperature items.
3. use or storage, should be away from oxidants and acids.
Please note that the use of any chemical substance should follow proper laboratory safety and personal protective measures.
1. Appearance: diethyl tert-butylmalonate is a colorless to light yellow liquid.
2. Solubility: It is soluble in organic solvents such as ethanol, ether and benzene, but insoluble in water.
diethyl tert-butylmalonate have the following main uses:
1. Organic synthesis: It is often used as a reagent and intermediate in organic synthesis. It can be methacrylate or alcohols and other nucleophilic reagents for addition reaction to generate the corresponding compounds.
2. Drug research: diethyl tert-butylmalonate is also used in the field of drug research. It can be used to synthesize specific drug molecular scaffolds, such as anti-cancer and anti-inflammatory drugs.
The method for preparing diethyl tert-butylmalonate is as follows:
1. Transesterification reaction of tert-butylmalonic acid diester and ethanol anhydride: The tert-butylmalonic acid diester is reacted with ethanol anhydride to obtain diethyl tert-butylmalonate through transesterification reaction.
Safety Information:
1. It is irritating to the skin and eyes, so care should be taken to avoid contact during use.
2. diethyl tert-butylmalonate is a flammable liquid, avoid contact with fire and high temperature items.
3. use or storage, should be away from oxidants and acids.
Please note that the use of any chemical substance should follow proper laboratory safety and personal protective measures.
Last Update：2024-04-09 20:49:11
