Structure of 105542-98-1
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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. : | 105542-98-1 |
| Formula : | C5H6I2 |
| M.W : | 319.91 |
| SMILES Code : | IC12CC(C2)(I)C1 |
| MDL No. : | MFCD29037325 |
| InChI Key : | JJWNAOGSAYBEPB-UHFFFAOYSA-N |
| Pubchem ID : | 11834162 |
| GHS Pictogram: |
|
| Signal Word: | Warning |
| Hazard Statements: | H302-H312-H315-H319-H332-H335 |
| Precautionary Statements: | P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501 |
* 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 |
|---|---|---|
| Example 14 1,3-Diiodobicyclo[1.1.1]pentane 11.4 g (0.045 mole) of sublimed iodine dissolved in 100 ml of dry ether were added dropwise to a magnetically stirred 0.1 mole solution prepared by Procedure A. The resulting solution was evaporated and the yellow to brownish crystalline mass dissolved in chloroform and passed through a short silica gel column. To the slightly pink eluent, 10 ml of heptane was added and the solution was evaporated to dryness giving 5.0 g of white crystals of the diiodide: mp. 153 C. dec. (sealed tube); 1 H NMR 2.67 (s); 13 C NMR -1.80, 68.25; EIMS, m/z (relative intensity) 320(5), 193(40), 128(35), 127(43), 66(100), 65(70); HRMS, m/z (calcd for C5H6I2: 319.85590) 319.85639; Anal. calcd for C5H6I2: C, 18.77; H, 1.89; I, 79.34. Found: C, 18.84; H, 1.90; I, 79.24. |