Methyl 2-isocyanoacetate
methyl isocyanoacetate
CAS: 39687-95-1
Molecular Formula: C4H5NO2
Methyl 2-isocyanoacetate - Names and Identifiers
Methyl 2-isocyanoacetate - Physico-chemical Properties
| Molecular Formula | C4H5NO2 |
| Molar Mass | 99.09 |
| Density | 1.09g/mLat 25°C(lit.) |
| Boling Point | 75-76°C10mm Hg(lit.) |
| Flash Point | 193°F |
| Water Solubility | Miscible with organic solvents. Slightly miscible with water. |
| Vapor Presure | 11.4mmHg at 25°C |
| Appearance | Liquid |
| Color | Clear yellow to brown |
| BRN | 3537963 |
| Storage Condition | 2-8°C |
| Refractive Index | n20/D 1.417(lit.) |
| MDL | MFCD00000006 |
Methyl 2-isocyanoacetate - Risk and Safety
| Hazard Symbols | C - Corrosive |
| Risk Codes | R20/21/22 - Harmful by inhalation, in contact with skin and if swallowed. R34 - Causes burns |
| 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 2922 8/PG 2 |
| WGK Germany | 3 |
| FLUKA BRAND F CODES | 8-9-32-13-19 |
| HS Code | 29291090 |
| Hazard Class | 8 |
| Packing Group | II |
Methyl 2-isocyanoacetate - Reference Information
| Application | Isonitrile methyl acetate is a transparent yellow to brown liquid, isonitrile methyl acetate can be made of glycine methyl ester hydrochloride as a raw material First prepare 2-formylamino acetate methyl ester, and then react with phosphorus oxychloride to obtain isonitrile methyl acetate. |
| the synthesis steps of preparing | α-isocyanoacetate methyl ester are as follows: 2.75g(23.5mmol) N-formylglycine methyl ester is dissolved in 100mL redistilled anhydrous dichloromethyl chloride (DCM), then 8.1mL(58.7mmol) of triethylamine is added, and the reaction mixture is placed in an ice bath, stirred and cooled for 15min. After the cooling is complete, slowly add phosphorus oxychloride 2.2mL(23.5mmol) in the anti-stereoscopic system, and then continue to stir and react in the ice bath for 1h. The solution was then raised to room temperature, and saturated Na2CO3 solution was slowly added until the pH showed to be alkaline, stirring continued until the aqueous and organic phases were fully stratified, the organic layer was separated from the separatory funnel, and the aqueous layer was extracted with DCM (30 mLx3). The organic layer is combined, washed 3 times with saturated salt water, the organic phase is dried with anhydrous MgSO4, filtered and washed, the filtrate is combined and spun dry to obtain crude α-isocyanoacetate methyl ester. The crude product is separated and purified by RP-HPLC, and after vacuum drying, 1.51g of dark brown liquid with strong pungent smell is obtained with a yield of 65.0%. |
Last Update：2024-04-09 20:02:46
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