2,4-Dioxopiperidine-1-carboxylic acid tert-butyl ester
tert-butyl 2,4-dioxopiperidine-1-carboxylate
CAS: 845267-78-9
Molecular Formula: C10H15NO4
2,4-Dioxopiperidine-1-carboxylic acid tert-butyl ester - Names and Identifiers
2,4-Dioxopiperidine-1-carboxylic acid tert-butyl ester - Physico-chemical Properties
| Molecular Formula | C10H15NO4 |
| Molar Mass | 213.23 |
| Density | 1.199 |
| Boling Point | 373.8±35.0 °C(Predicted) |
| Flash Point | 179.9°C |
| Vapor Presure | 8.72E-06mmHg at 25°C |
| pKa | 10.67±0.20(Predicted) |
| Storage Condition | Keep in dark place,Sealed in dry,Room Temperature |
| Refractive Index | 1.493 |
| MDL | MFCD10566071 |
2,4-Dioxopiperidine-1-carboxylic acid tert-butyl ester - Risk and Safety
| Risk Codes | 20/21/22 - Harmful by inhalation, in contact with skin and if swallowed. |
| Safety Description | S23 - Do not breathe vapour. S24/25 - Avoid contact with skin and eyes. |
| WGK Germany | 3 |
| HS Code | 29337900 |
2,4-Dioxopiperidine-1-carboxylic acid tert-butyl ester - Reference Information
| Use | 2, 4-dipiperidon-1-formate tert-butyl formate is the synthesis of phenoxymethyl-dihydrothiazolopyridone derivatives Reactants in the product, as a selective positive structure modulator (PAM) of the metabolized glutamate 5(mGlu5) receptor. |
| application | 2, 4-dioperidone-1-tert-butyl formate is mainly used as organic intermediate and pharmaceutical intermediate, and can be used in laboratory research and development process and chemical medicine synthesis process. |
| preparation | step a: add EDCI(191.7g) to DMF(400mL) solution of 3-(tert-butoxycarbonylamino) propionic acid (189.2g,1.0mol), meldamic acid (144.1g,1.0mol) and DMAP(135.0g,1.1mol) cooled by ice bath, 1.0mol). The resulting reactants were stirred overnight at room temperature. The reaction was quenched with 200mL H2O. The resulting mixture was added dropwise to H2O(2.0L) under mechanical stirring. The obtained solid was filtered and thoroughly washed with water to pH 7 to obtain the product (283g,90% yield). Step B: A solution of 3-(2, 2-dimethyl-4, 6-dioxo-1, 3-dioxan-5-yl)-3-oxopropylcarbamate tert-butyl ester (100g,317.46mmol) in toluene (1500mL) is heated at 100°C for 4 hours. The reactants are cooled to room temperature and concentrated under reduced pressure to obtain a crude product. The product (56g,83% yield) was purified by MTBE-grinding. |
Last Update：2024-04-09 15:16:38
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