| Diethyl ethylmalonate Basic information |
| Product Name: | Diethyl ethylmalonate |
| Synonyms: | Diethyl 2-ethylmalonate;Ethylethylmalonate;Ethylmalonicacid,diethylest;DIETHYL ETHYLMALONATE FOR SYNTHESIS;Ethyl Malonic acidethyl ester two;Diethyl EthylMalonate, 98.0%(GC);Diethyl ethylMalonate, 99% 100GR;1,3-Diethyl 2-ethylpropanedioate |
| CAS: | 133-13-1 |
| MF: | C9H16O4 |
| MW: | 188.22 |
| EINECS: | 205-093-3 |
| Product Categories: | C8 to C9;Carbonyl Compounds;Pharmaceutical Intermediates;TheMalonateRamificationProducts;Esters;bc0001 |
| Mol File: | 133-13-1.mol |
| Diethyl ethylmalonate Chemical Properties |
| Melting point | 0°C |
| Boiling point | 75-77 °C/5 mmHg (lit.) |
| density | 1.004 g/mL at 25 °C (lit.) |
| refractive index | n |
| Fp | 191 °F |
| storage temp. | Store below +30°C. |
| solubility | 2.87g/l |
| form | Liquid |
| pka | 13.17±0.46(Predicted) |
| color | Clear colorless |
| PH | 4.46 at 24.3℃ and 10g/L |
| Water Solubility | immiscible |
| BRN | 607635 |
| LogP | 2.4 at 30℃ and pH7.93 |
| CAS DataBase Reference | 133-13-1(CAS DataBase Reference) |
| NIST Chemistry Reference | Propanedioic acid, ethyl-, diethyl ester(133-13-1) |
| EPA Substance Registry System | Propanedioic acid, ethyl-, diethyl ester (133-13-1) |
| Safety Information |
| Hazard Codes | Xi |
| Risk Statements | 36/37/38 |
| Safety Statements | 24/25-36-26 |
| WGK Germany | 2 |
| TSCA | Yes |
| HS Code | 29171990 |
| Toxicity | LD50 orally in Rabbit: > 2000 mg/kg LD50 dermal Rat > 2000 mg/kg |
| MSDS Information |
| Provider | Language |
|---|---|
| Diethyl ethylmalonate | English |
| ACROS | English |
| SigmaAldrich | English |
| ALFA | English |
| Diethyl ethylmalonate Usage And Synthesis |
| Chemical Properties | CLEAR COLOURLESS LIQUID |
| Uses | Diethyl Ethylmalonate is used in the synthesis of HIV-1 reverse transcriptase inhibitors. Also used in the preparation of Peloruside A, a novel antimitotic agent used as a potential anti-cancer agent. |
| Diethyl ethylmalonate Preparation Products And Raw materials |
| Raw materials | Ethanol-->Hydrochloric acid-->Sulfuric acid-->Sodium carbonate-->Sodium cyanide-->Malonic acid-->Chloroacetic acid |
| Preparation Products | 3-(AMINOMETHYL)PENTANENITRILE-->Diethyl isopropylmalonate-->ETHYLMALONIC ACID-->2-ETHYLACRYLIC ACID 98-->DIETHYL SEC-BUTYLMALONATE |
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