Diethyl benzylidenemalonate

C14H16O4CAS 5292-53-5248.28 g/mol

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AlkeneEster

Properties

Molecular formula
C14H16O4
Molar mass
248.28 g/mol
Exact mass
248.1049 Da
Density
1.0528 g/mL (at 84 °C)
Melting point
32 °C
Boiling point
216 °C
logP
2.20Crippen estimate
Polar surface area
52.6 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
5

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P337+P317, P362+P364, P501

Identifiers

CAS number
5292-53-5
SMILES
CCOC(=O)C(=Cc1ccccc1)C(=O)OCC
InChIKey
VUWPIBNKJSEYIN-UHFFFAOYSA-N
InChI
InChI=1S/C14H16O4/c1-3-17-13(15)12(14(16)18-4-2)10-11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

13 names · show all
  • Propanedioic acid, 2-(phenylmethylene)-, 1,3-diethyl ester
  • Malonic acid, benzylidene-, diethyl ester
  • Propanedioic acid, (phenylmethylene)-, diethyl ester
  • Diethyl benzalmalonate
  • Benzylidenemalonic acid diethyl ester
  • Ethyl benzylidenemalonate
  • Diethyl (phenylmethylene)malonate
  • β,β-Diethoxycarbonylstyrene
  • (Phenylmethylene)propanedioic acid diethyl ester
  • NSC 1272
  • Diethyl 2-benzylidenemalonate
  • Diethyl benzylidenepropanedioate
  • 1,3-Diethyl 2-(phenylmethylidene)propanedioate

Work with Diethyl benzylidenemalonate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Ethyl benzalmalonate24302-10-178 % similar Diethyl 2-(4-(benzyloxy)benzylidene)malonate53361-40-370 % similar Ethyl benzoylformate1603-79-856 % similar Ethyl cinnamate103-36-653 % similar Ethyl oxanilate1457-85-851 % similar Ethyl alpha-oxobenzenebutanoate64920-29-251 % similar Diethyl ethylidenemalonate1462-12-050 % similar (Carbethoxyethylidene)triphenylphosphorane5717-37-350 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook