DI-T-BUTYL MALONATE
Di-tert-butyl malonate
CAS: 541-16-2
Molecular Formula: C11H20O4
DI-T-BUTYL MALONATE - Names and Identifiers
| Name | Di-tert-butyl malonate |
| Synonyms | DI-T-BUTYL MALONATE Di-tert-Butyl malote DI-TERT-BUTYL MALONATE Di-tert-butyl malonate di-tert-butyl propanedioate 1,3-di-tert-butyl propanedioate bis(1,1-dimethylethyl) malonate MALONIC ACID DI-TERT-BUTYL ESTER propanedioicacid,bis(1,1-dimethylethyl)ester Propanedioic acid, bis(1,1-dimethylethyl) ester Di-tert-butyl malonate stab. with potassium carbonate |
| CAS | 541-16-2 |
| EINECS | 208-769-6 |
| InChI | InChI=1/C11H20O4/c1-10(2,3)14-8(12)7-9(13)15-11(4,5)6/h7H2,1-6H3 |
| InChIKey | CLPHAYNBNTVRDI-UHFFFAOYSA-N |
DI-T-BUTYL MALONATE - Physico-chemical Properties
| Molecular Formula | C11H20O4 |
| Molar Mass | 216.27 |
| Density | 0.966 g/mL at 25 °C (lit.) |
| Melting Point | -7--6 °C (lit.) |
| Boling Point | 110-111 °C/22 mmHg (lit.) |
| Flash Point | 88 °C |
| Water Solubility | It is hardly soluble in water. |
| Solubility | Chloroform, Ethyl Acetate |
| Vapor Presure | 0.132mmHg at 25°C |
| Appearance | Liquid |
| Color | Clear colorless to slightly yellow |
| Merck | 14,3034 |
| BRN | 1781766 |
| pKa | 11.87±0.46(Predicted) |
| Storage Condition | Keep in dark place,Sealed in dry,Room Temperature |
| Refractive Index | n20/D 1.418(lit.) |
DI-T-BUTYL MALONATE - Risk and Safety
| Risk Codes | R36/37/38 - Irritating to eyes, respiratory system and skin. R24/25 - |
| Safety Description | S23 - Do not breathe vapour. S24/25 - Avoid contact with skin and eyes. |
| WGK Germany | 3 |
| TSCA | Yes |
| HS Code | 29171910 |
DI-T-BUTYL MALONATE - Reference Information
| NIST chemical information | Information provided by: webbook.nist.gov (external link) |
| EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
| Application | Ditert-butyl malonate is a diester of malonate. The hydrogen atom on the active methylene group in the malonate diester molecule is easy to react with other groups, so it can carry out alkylation, hydroxylation, amidation and other reactions. It is an important intermediate for the synthesis of medicine, pesticide, dye, perfume and other fine chemicals. |
| Preparation | Step 1, malonic acid dichloride: First, 8.0g(76.9 mmol) of malonic acid and 30.0g(0.25 mol) of thionyl chloride are heated at 50°C for 3 days, and then at 60°C for 6 hours. After removing thionyl chloride in a rotary vaporizer, distill the residue. Output: 6.3g(58%), oil, boiling point 43 ℃/ 12 Torr. Step 2: ditert-butyl malonate: at room temperature, drop 19.5g(0.26 mol) of anhydrous tert-butanol in 20 mL of anhydrous N,N-dimethylaniline solution with 6.0 g(0.43 mmol) of anhydrous CHCl3 solution. Subsequently, the solution was heated under reflux for 4 hours, and 40mL 3M sulfuric acid was added to the cooled solution. The aqueous phase was extracted 3 times with 50mL ether. The combined organic phase was washed with 20 mL of water, 20 mL of saturated potassium carbonate solution and 20 mL of saturated sodium chloride solution. The ether phase is dried and filtered by magnesium sulfate. After evaporating the solvent, the residue is distilled. Output: 6.0g(62%),bp 93 ℃/ 10Torr. |
Last Update：2024-04-09 02:00:05
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