Structure of 3119-15-1
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The BI-3802 was designed by Boehringer Ingelheim and could be obtained free of charge through the Boehringer Ingelheim open innovation portal opnMe.com, associated with its negative control.
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CAS No. : | 3119-15-1 |
Formula : | C7H4I3NO2 |
M.W : | 514.83 |
SMILES Code : | O=C(O)C1=C(I)C=C(I)C(N)=C1I |
MDL No. : | MFCD00007681 |
InChI Key : | QMQFFHSJUJDRPG-UHFFFAOYSA-N |
Pubchem ID : | 18387 |
GHS Pictogram: |
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Signal Word: | Warning |
Hazard Statements: | H302+H312+H332-H315-H319-H335 |
Precautionary Statements: | P261-P280-P301+P312+P330-P305+P351+P338 |
* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
79% | In 2,4-dichlorophenoxyacetic acid dimethylamine; | A 3-[(2-chloroacetyl)amino]-2,4,6-triiodobenzoic acid According to the procedure described in Example 1, a suspension of 103 g of <strong>[3119-15-1]3-amino-2,4,6-triiodobenzoic acid</strong> (Beil. XIV, 414) (0.2 mol) in 200 ml of DMA is added to 24.8 g of chloroacetyl chloride (0.22 mol). 93.27 g of 3-[(2-chloroacetyl)amino]-2,4,6-triiodobenzoic acid are obtained (0.158 mol). Yield: 79% m.p.: 253-255 C. TLC: silica gel plate 60F 254 Merck. Eluent: CHCl3: MeOH: NH4 OH 25%=4:4:2. Detector: UV light (254 nm) Rf=0.69. 1 H-NMR, 13 C-NMR, IR and MS spectra are consistent with the assigned structure. |
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