Ethyl 3-methyl-2-oxobutyrate
ALDRICH/218456 - 97%
Synonym: Ethyl dimethylpyruvate; Ketovaline ethyl ester
CAS Number: 20201-24-5
Empirical Formula (Hill Notation): C7H12O3
Molecular Weight: 144.17
EC Number: 243-587-0
MDL Number: MFCD00009122
Linear Formula: (CH3)2CHCOCOOCH2CH3
Product Type: Chemical
| assay | 97% |
| bp | 62 °C/11 mmHg (lit.) |
| density | 0.989 g/mL at 25 °C (lit.) |
| functional group | ester |
| ketone | |
| InChI | 1S/C7H12O3/c1-4-10-7(9)6( |
| InChI key | CKTYYUQUWFEUCO-UHFFFAOYSA |
| Quality Level | 100  |
| refractive index | n |
| SMILES string | CCOC(=O)C(=O)C(C)C |
| storage temp. | 2-8°C |
| Application: | Ethyl 3-methyl-2-oxobutyrate was used in the synthesis of (2SR,4SR)-5(S)-(N-Boc)-amino-6-cyclohexyl-4-hy |
| General description: | Ethyl 3-methyl-2-oxobutyrate reacts with a variety of allyl halides in the presence of indium to afford hydroxy unsaturated carbonyl compounds. Conformational behaviour of ethyl 3-methyl-2-oxobutyrate was investigated using solution FTIR in combination with ab initio calculations. |
| Packaging: | 5 g in glass bottle |
| Symbol |  GHS02 |
| Signal word | Warning |
| Hazard statements | H226 |
| Precautionary statements | P210 |
| Risk Statements | 10 |
| RIDADR | UN 3272 3 / PGIII |
| WGK Germany | WGK 3 |
| Flash Point(F) | 109.4 °F - closed cup |
| Flash Point(C) | 43 °C - closed cup |
| Purity | 97% |
| bp | 62 °C/11 mmHg (lit.) |
| Density | 0.989 g/mL at 25 °C (lit.) |
| Refractive Index | n |
| Storage Temp. | 2-8°C |
| UNSPSC | 12352100 |