Diethylbenzyl malonate
Diethyl benzylmalonate
CAS: 607-81-8
Molecular Formula: C14H18O4
Diethylbenzyl malonate - Names and Identifiers
| Name | Diethyl benzylmalonate |
| Synonyms | AKOS BBS-00006590 Diethylbenzyl malonate Diethyl benzylmalonate DIETHYL BENZYLMALONATE Diethyl 2-benzylmalonate diethyl benzylpropanedioate Benzylmalonic acid diethyl ester BENZYLMALONIC ACID DIETHYL ESTER Malonic acid, benzyl-, diethyl ester 1,1-Bis(ethoxycarbonyl)-2-phenylethane Malonic acid, 2-benzyl-, diethyl ester (phenylmethyl)-propanedioicacidiethylester |
| CAS | 607-81-8 |
| EINECS | 210-142-7 |
| InChI | InChI=1/C14H18O4/c1-3-17-13(15)12(14(16)18-4-2)10-11-8-6-5-7-9-11/h5-9,12H,3-4,10H2,1-2H3 |
| InChIKey | ICZLTZWATFXDLP-UHFFFAOYSA-N |
Diethylbenzyl malonate - Physico-chemical Properties
| Molecular Formula | C14H18O4 |
| Molar Mass | 250.29 |
| Density | 1.064 g/mL at 25 °C (lit.) |
| Boling Point | 162-163 °C/10 mmHg (lit.) |
| Flash Point | >230°F |
| Water Solubility | immiscible |
| Solubility | Chloroform, Methanol |
| Vapor Presure | 0.26Pa at 25℃ |
| Appearance | Colourless Liquid |
| Color | Colorless to Almost colorless |
| BRN | 615793 |
| pKa | 12.56±0.46(Predicted) |
| Storage Condition | Sealed in dry,Room Temperature |
| Refractive Index | n20/D 1.486(lit.) |
| Physical and Chemical Properties | Appearance: colorless liquid boiling point: 162-163 ℃ |
Diethylbenzyl malonate - Risk and Safety
| Hazard Symbols | Xi - Irritant |
| Risk Codes | 36/37/38 - Irritating to eyes, respiratory system and skin. |
| Safety Description | S24/25 - Avoid contact with skin and eyes. S36 - Wear suitable protective clothing. S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. |
| WGK Germany | 3 |
| TSCA | Yes |
| HS Code | 29173980 |
Diethylbenzyl malonate - Reference Information
| LogP | 2.76 |
| NIST chemical information | Information provided by: webbook.nist.gov (external link) |
| EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
| use | intermediate of local anesthetic propafenone (Propafenone). |
| production method | chlorobenzyl, diethyl malonate, K3PO4 · 7H2O and tributylbenzyl ammonium bromide are put into the reactor according to the ingredient ratio, and stirred at 65 ℃ for 5h. Cool, add distilled water to dissolve inorganic salts, separate out the organic phase, and dry with anhydrous potassium carbonate. Distillate under reduced pressure to collect the 142-145 ℃(1.2kPa) fraction to obtain diethyl benzylmalonate. 82% yield. |
Last Update：2024-04-09 02:00:05
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