Methyl (chloroformyl)acetate
Methyl malonyl chloride
CAS: 37517-81-0
Molecular Formula: C4H5ClO3
Methyl (chloroformyl)acetate - Names and Identifiers
| Name | Methyl malonyl chloride |
| Synonyms | AURORA KA-3053 METHYL MALONYL CHLORIDE Mehtyl Malonyl Chloride Methyl malonyl chloride METHYL CHLOROFORMYLACETATE Methyl chloroformylacetate Methyl (chloroformyl)acetate METHYL 3-CHLORO-3-OXOPROPIONATE Methyl 3-chloro-3-oxopropionate methyl 3-chloro-3-oxopropanoate Malonic acid monomethyl ester chloride Propanoic acid, 3-chloro-3-oxo-, methyl ester Methyl chloroformylacetate, Methyl malonyl chloride |
| CAS | 37517-81-0 |
| EINECS | 253-540-6 |
| InChI | InChI=1/C4H5ClO3/c1-8-4(7)2-3(5)6/h2H2,1H3 |
| InChIKey | UTBCRHAMJFMIIR-UHFFFAOYSA-N |
Methyl (chloroformyl)acetate - Physico-chemical Properties
| Molecular Formula | C4H5ClO3 |
| Molar Mass | 136.53 |
| Density | 1.273 g/mL at 25 °C (lit.) |
| Boling Point | 57-59 °C/12 mmHg (lit.) |
| Flash Point | 176°F |
| Water Solubility | Reacts with water. |
| Vapor Presure | 1.69mmHg at 25°C |
| Appearance | Liquid |
| Specific Gravity | 1.275 |
| Color | Colorless |
| BRN | 1754078 |
| pKa | 9.33±0.46(Predicted) |
| Storage Condition | 2-8°C |
| Sensitive | Lachrymatory |
| Refractive Index | n20/D 1.432(lit.) |
| Physical and Chemical Properties | Density 1.273 refractive index 1.431-1.435 flash point 80 ℃ boiling point 57-59 ℃ (12 mmHg) |
Methyl (chloroformyl)acetate - Risk and Safety
| Hazard Symbols | C - Corrosive |
| Risk Codes | R34 - Causes burns R36/37 - Irritating to eyes and respiratory system. |
| Safety Description | 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.) |
| UN IDs | UN 3265 8/PG 2 |
| WGK Germany | 3 |
| FLUKA BRAND F CODES | 8-10-19 |
| HS Code | 29171900 |
| Hazard Note | Corrosive/Lachrymatory/Keep Cold |
| Hazard Class | 8 |
| Packing Group | II |
Methyl (chloroformyl)acetate - Reference Information
| NIST chemical information | Information provided by: webbook.nist.gov (external link) |
| Use | Methyl malonate chloride is an organic intermediate, and it has been reported in the literature that it can be used to prepare sitagliptin for the treatment of type 2 diabetes. |
| Preparation | Methyl malonate chloride can be obtained by the reaction of hydrogen methylmalonate and oxalyl chloride. Take out 100 mL clean flask from the oven, cool to room temperature in argon, add 5mL of dichloromethane and 1.0g(8.5mmol) of hydrogen methylmalonate to the reaction flask, add a drop of DMF during stirring, slowly add 1.2g(9.4mmol) of oxalyl chloride to the reaction flask after 5 minutes of ice bath, remove the ice bath, react at room temperature for 2 hours, and evaporate and concentrate with a rotary evaporator to obtain methylmalonate chloride. |
Last Update：2024-04-09 02:00:08
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