DIBENZYL MALONATE
- CAS NO.：15014-25-2
- Empirical Formula: C17H16O4
- Molecular Weight: 284.31
- MDL number: MFCD00004779
- EINECS: 239-099-2
- SAFETY DATA SHEET (SDS)
- Update Date: 2023-04-23 13:52:06
What is DIBENZYL MALONATE?
Chemical properties
CLEAR YELLOWISH LIQUID
The Uses of DIBENZYL MALONATE
Dibenzyl malonate was used in the preparation of tetraethyl 3,3-bis(benzyloxycarbonyl)propylene bisphosphonate. It was also used in the preparation of benzyl umbelliferone-3-carboxylate via Knoevenagel condensation with 2,4-dihydroxybezaldehyde.
General Description
Direct asymmetric reaction of dibenzyl malonate with N-tert-butoxycarbonyl aldimines in the presence of Yb(OTf)3 and iPr-pybox (pybox = pyridine bisoxazoline) complexes has been investigated.
Purification Methods
Dissolve the ester in toluene, wash it with aqueous NaHCO3, H2O, dry over MgSO4, filter, evaporate and distil it at high vacuum. [Ginsburg & Pappo J Am Chem Soc 75 1094 1953, Baker et al. J Org Chem 17 77 1952, Beilstein 6 IV 2270.]
Properties of DIBENZYL MALONATE
| Boiling point: | 188 °C/0.2 mmHg (lit.) |
| Density | 1.137 g/mL at 25 °C (lit.) |
| refractive index | n |
| Flash point: | >230 °F |
| storage temp. | Sealed in dry,Room Temperature |
| form | clear liquid |
| pka | 11.65±0.46(Predicted) |
| Specific Gravity | 1.17 |
| color | Colorless to Light yellow to Light orange |
| Water Solubility | Sparingly soluble in water; miscible in all proportions with ether and alcohol. |
| BRN | 1998264 |
| CAS DataBase Reference | 15014-25-2(CAS DataBase Reference) |
Safety information for DIBENZYL MALONATE
| Signal word | Warning |
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H302:Acute toxicity,oral H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
Computed Descriptors for DIBENZYL MALONATE
| InChIKey | RYFCSKVXWRJEOB-UHFFFAOYSA-N |
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