2140-11-6
2',3'-O-isopropylideneinosine
CAS: 2140-11-6
Molecular Formula: C13H16N4O5
2140-11-6 - Names and Identifiers
| Name | 2',3'-O-isopropylideneinosine |
| Synonyms | 2',3'-isopropylideneinosine 2',3'-Isopropylideneinosine 2',3'-O-isopropylideneinosine 2',3'-O-Isopropylideneinosine 2',3'-O-ISOPROPYLIDENEINOSINE 2',3'-O-Isopropylidene-D-inosine 2',3'-O-(1-methylethylidene)inosine 2',3'-O-(1-Methylethylidene)- Inosine 2'-O,3'-O-Isopropylidene-2-deaminoguanosine 2'-O,3'-O-Isopropylidene-6-hydroxy-6-deaminoadenosine 9-(2,3-O-Isopropylidene-beta-D-ribofuranosyl)hypoxanthine 9-[2,3-O-(1-methylethylidene)pentofuranosyl]-3,9-dihydro-6H-purin-6-one |
| CAS | 2140-11-6 |
| EINECS | 218-388-7 |
| InChI | InChI=1/C13H16N4O5/c1-13(2)21-8-6(3-18)20-12(9(8)22-13)17-5-16-7-10(17)14-4-15-11(7)19/h4-6,8-9,12,18H,3H2,1-2H3,(H,14,15,19) |
| InChIKey | LIEKLUBCIPVWQD-WOUKDFQISA-N |
2140-11-6 - Physico-chemical Properties
| Molecular Formula | C13H16N4O5 |
| Molar Mass | 308.29 |
| Density | 1.80±0.1 g/cm3(Predicted) |
| Melting Point | 263-272°C |
| Boling Point | 606.6±65.0 °C(Predicted) |
| Flash Point | 320.7°C |
| Solubility | DMSO (Slightly), Methanol (Slightly, Heated, Sonicated) |
| Vapor Presure | 1.44E-15mmHg at 25°C |
| Appearance | White powder |
| Color | White to Off-White |
| pKa | 14.14±0.10(Predicted) |
| Storage Condition | Inert atmosphere,2-8°C |
| Refractive Index | 1.778 |
| MDL | MFCD00038002 |
2140-11-6 - Risk and Safety
| Safety Description | 24/25 - Avoid contact with skin and eyes. |
| WGK Germany | 3 |
| HS Code | 29389090 |
2140-11-6 - Reference Information
| introduction | 2 ',3'-O-isopropylidene inosine is a pharmaceutical intermediate that can be used to prepare capecitabine. Capecitabine (Capecitabine) is a prodrug of 5-fluorouracil. The compound itself has no cytotoxicity, and it is metabolized into 5-FU (5-fluorouracil) by 3 steps under the action of enzymes in vivo to exert anti-tumor effect. |
| preparation | take 100g(0.368mol) of inosine, add 400ml of acetone, add 40ml of concentrated sulfuric acid under stirring, heat to reflux, add 100g of anhydrous copper sulfate after the solid is completely dissolved, continue to reflux for 5 hours, TLC tracks the reaction, after the reaction is completed, add 160g of sodium carbonate to neutralize the reaction, remove inorganic salts, wash with acetone, and combine filtrates, the solvent is distilled under reduced pressure, 200ml of 60% ethanol is added to the residue, hot dissolved, filtered while hot, and the filtrate is refrigerated to obtain 96g of light yellow crystal, melting point: 192~196 ℃, yield: 83.7%. |
Last Update：2024-04-10 22:29:15
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