BMK NEW

Chinese name: Diethyl phenylacetylmalonate

English name: BMK

CAS number: 20320-59-6

Molecular formula: C15H18O5

Molecular weight: 278.3

EINECS number: 205-854-1

Boiling point: 120 °C(Press: 0.01 Torr)

Density: 1.148± 0.06g /cm3(Predicted)

Acidity coefficient (pKa) : 8.76±0.59(Predicted)

Appearance: Light yellow liquid

InChI: InChI = 1 s/C15H18O5 / c1-3-19-14 (17) and 15 (18) (20-4-2), 12 (16) 10-11-8-10-11-8-9-11 / h5-9, 13 H, 3-4, H2, h3 1-2

InChIKey: ZASPDQDIPTZTQQ-UHFFFAOYSA-N

SMILES: C(OCC)(=O)C(C(CC1=CC=CC=C1)=O)C(OCC)=O

Purpose:

Diethyl phenylacetylmalonic acid contains two strong hydrophobic ethyl acetate groups in its molecular structure, so that it has a certain hydrophobicity, the compound is not easily dissolved in water, but has good solubility in organic solvents, such as ethanol, ether, benzene, etc. Diethyl phenylacetylmalonate is a kind of organic synthesis intermediate, which is mostly used in the synthesis of heterocyclic compounds in organic chemistry.

Production method: The anhydrous ethanol, which is co-steamed with diethyl phthalate and sodium metal, is added to the mixture of diethyl malonate, carbon tetrachloride and magnesium, heated to start the reaction, and the temperature is controlled to make the reaction smooth. Then add the Chemicalbook anhydrous ether, heat for 1h, add the ether solution of phenylacetyl chloride (slowly add, do not make the reaction too intense). After the reaction, the oil layer was separated by cooling and adding water, and the ether was steamed under reduced pressure to obtain diethyl phenylacetylmalonate.