| Chemical Properties | Back Directory | [Boiling point ]
679.0±55.0 °C(Predicted) | [density ]
2.355±0.06 g/cm3(Predicted) | [pka]
10.45±0.70(Predicted) | [InChI]
InChI=1S/C14H14ClI3N2O6/c1-26-4-6(23)20-12-10(17)7(13(15)24)9(16)8(11(12)18)14(25)19-2-5(22)3-21/h5,21-22H,2-4H2,1H3,(H,19,25)(H,20,23) | [InChIKey]
XDXXSXCEMRKYEK-UHFFFAOYSA-N | [SMILES]
C(Cl)(=O)C1=C(I)C(NC(COC)=O)=C(I)C(C(NCC(O)CO)=O)=C1I |
| Hazard Information | Back Directory | [Uses]
5-methoxyacetylamino-2,4,6-triiodoisophthalic acid (2,3-dihydroxypropyl)amide chloride is an important intermediate for the synthesis of Iopromide, which is an iodinated contrast medium for X-ray imaging. It is also an important organic reagent for the synthesis of many organic compounds. | [Preparation]
N-[3,5-Bis(chlorocarbonyl)-2,4,6-triiodophenyl]amine (100g, 0.17mol) ) was added with 100ml of DMA to dissolve, and methoxyacetyl chloride (27.3g, 0.25mol) was added dropwise at 20°C for about 1 hour. The reaction was kept at 20-30°C for 5-8 hours. Cool the mixture to 5°C, water, potassium carbonate (58.7 g, 0.42 mol), 400 ml of dichloromethane, and 3-amino-1,2-propanediol (17.8 g, 0.2 mol) were added dropwise. After 8 hours, 400 ml of cold water was quickly added to the reaction solution. After crystallization, filtered, washed with a small amount of water, and dried to obtain 5-methoxyacetylamino-2,4,6-triiodoisophthalic acid (2,3-dihydroxypropyl)amide chloride.
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