N-Carbethoxyphthalimide
Synonym(s):N-Ethoxycarbonylphthalimide;Ethyl 1,3-dioxo-2-isoindolinecarboxylate;Ethyl phthalimide-N-carboxylate
- CAS NO.：22509-74-6
- Empirical Formula: C11H9NO4
- Molecular Weight: 219.19
- MDL number: MFCD00005893
- EINECS: 245-048-5
- SAFETY DATA SHEET (SDS)
- Update Date: 2023-04-23 13:52:06
What is N-Carbethoxyphthalimide?
Chemical properties
White crystalline powder
The Uses of N-Carbethoxyphthalimide
N-Carbethoxyphthalimide is used in the synthetic preparation of a novel dual binders as potent, selective, and orally bioavailable tankyrase inhibitors.
Purification Methods
Crystallise the imide from toluene/pet ether (or *benzene/pet ether). It is partly soluble in Et2O, *benzene and CHCl3. [Heller & Jacobsohn Chem Ber 54 1112 1921, Beilstein 21/10 V 428.]
Properties of N-Carbethoxyphthalimide
| Melting point: | 90-92 °C(lit.) |
| Boiling point: | 360°C (rough estimate) |
| Density | 1.3219 (rough estimate) |
| vapor pressure | 0.003-0.006Pa at 20-25℃ |
| refractive index | 1.4950 (estimate) |
| storage temp. | Inert atmosphere,2-8°C |
| solubility | DMSO (Slightly), Methanol (Slightly) |
| pka | -3.02±0.20(Predicted) |
| form | Crystalline Powder |
| color | White |
| Water Solubility | insoluble |
| BRN | 196340 |
| CAS DataBase Reference | 22509-74-6(CAS DataBase Reference) |
| NIST Chemistry Reference | 2H-isoindole-2-carboxylic acid, 1,3-dihydro-1,3-dioxo-, ethyl ester(22509-74-6) |
| EPA Substance Registry System | 2H-Isoindole-2-carboxylic acid, 1,3-dihydro-1,3-dioxo-, ethyl ester (22509-74-6) |
Safety information for N-Carbethoxyphthalimide
| Signal word | Warning |
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H302:Acute toxicity,oral |
| Precautionary Statement Codes |
P270:Do not eat, drink or smoke when using this product. P330:Rinse mouth. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. P403+P233:Store in a well-ventilated place. Keep container tightly closed. |
Computed Descriptors for N-Carbethoxyphthalimide
| InChIKey | VRHAQNTWKSVEEC-UHFFFAOYSA-N |
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