3-Oxo-3-chloropropionic acid ethyl ester
Ethyl malonyl chloride
CAS: 36239-09-5
Molecular Formula: C5H7ClO3
3-Oxo-3-chloropropionic acid ethyl ester - Names and Identifiers
3-Oxo-3-chloropropionic acid ethyl ester - Physico-chemical Properties
| Molecular Formula | C5H7ClO3 |
| Molar Mass | 150.56 |
| Density | 1.196g/mLat 20°C |
| Boling Point | 79-80°C25mm Hg(lit.) |
| Flash Point | 154°F |
| Water Solubility | REACTS |
| Vapor Presure | 1.003mmHg at 25°C |
| Appearance | Liquid |
| Specific Gravity | 1.176 |
| Color | Clear yellow to brown |
| BRN | 636215 |
| pKa | 9.35±0.46(Predicted) |
| Storage Condition | 2-8°C |
| Sensitive | Moisture Sensitive |
| Refractive Index | n20/D 1.429(lit.) |
3-Oxo-3-chloropropionic acid ethyl ester - Risk and Safety
| Hazard Symbols | C - Corrosive |
| Risk Codes | R14 - Reacts violently with water R34 - Causes burns |
| Safety Description | S7 - Keep container tightly closed. S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. S45 - In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) S36/39 - |
| UN IDs | UN 3265 8/PG 3 |
| WGK Germany | 3 |
| FLUKA BRAND F CODES | 10-21 |
| HS Code | 29171900 |
| Hazard Note | Corrosive |
| Hazard Class | 8 |
| Packing Group | II |
3-Oxo-3-chloropropionic acid ethyl ester - Reference Information
| NIST chemical information | Information provided by: webbook.nist.gov (external link) |
| Introduction | Ethyl chloroformyl acetate is an organic intermediate, which can be obtained by the reaction of ethyl malonate with oxalyl chloride. It has been reported in the literature that it can be used to prepare 5,5 ′-ethyl diacetate -3,3 ′-linked -1,2, 4-oxadiazole. |
| Uses | Ethyl chloroformyl acetate can be used in organic synthesis, such as preparing compounds 5,5 '-ethyl diacetate -3,3'-Union -1,2, 4-oxadiazole. |
| Preparation | Method 1. ethyl chloroformyl acetate is also called ethyl 3-chloro-3-oxopropionate, ethyl malonate monoacyl chloride, It can be obtained by chlorination of 3-ethoxy-3-oxopropionic acid, and the chlorination reagent can be selected from sulfoxide chloride and oxalyl chloride. add dichlorosulfoxide (26.6g,225.6mmol) to toluene (226mL) solution containing 3-ethoxy-3-oxopropionic acid (14.9g,112.8mmol). The reaction solution was heated and stirred at 110 ℃ for 4 hours, and then concentrated under reduced pressure to obtain brown oil ethyl chloroformyl acetate. method 2., ethyl malonate (13.2g,100.0mmol) and N,N-dimethylformamide (0.05mL) were stirred and dissolved in dichloromethane (200mL), cooled to 0 ℃ in ice water bath, oxalyl chloride (25.4g,200mmol) was added dropwise, and the mixture was stirred at room temperature for 2 hours to concentrate to obtain ethyl chloroformyl acetate (14.5g,97%) as white oil. |
Last Update：2024-04-09 20:52:54
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View History
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