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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.
Synonyms: Chloro-1,5-cyclooctadiene iridium(I) dimer
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Batch number can be found on the product's label following the word 'Batch'.
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CAS No. : | 12112-67-3 |
Formula : | C16H24Cl2Ir2 |
M.W : | 671.70 |
SMILES Code : | Cl[Ir].[Ir]Cl.C1=C\CC/C=C\CC/1.C2=C\CC/C=C\CC/2 |
Synonyms : |
Chloro-1,5-cyclooctadiene iridium(I) dimer
|
MDL No. : | MFCD00012414 |
InChI Key : | SHZHQWGWORCBJK-MIXQCLKLSA-L |
Pubchem ID : | 6436381 |
GHS Pictogram: |
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Signal Word: | Warning |
Hazard Statements: | H315-H319-H335 |
Precautionary Statements: | P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P362+P364-P403+P233-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 |
---|---|---|
53% | With triethylamine; In toluene; at 25.0℃; for 34h;Inert atmosphere; | General procedure: Argon under the protection,In a dry 250 ml three-necked bottle,[Ir (cod) Xld] 2 (336 mg, 0.5 mmol) was added,Such as compounds represented by formula and bases,Organic solvents,Stirring reaction,The crude product was isolated by column chromatography (ethyl acetate / petroleum ether: 1: 5).The specific reaction conditions for the compounds Va-Vc and the compound Vf are shown in Table 5.The compound Vd-Ve,Preparation Methods and Conditions for Compound Vg Referring to Example 5 and Table 5,among them,The molar ratio in Table 5 refers to the molar ratio of [Ir (cod) Xld] 2: compound : base. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
67% | In 5,5-dimethyl-1,3-cyclohexadiene; for 96h;Reflux; | This compound was synthesized according to the method reported in literature [24,26-28]. [Ir(COD)Cl]2 (0.39mmol) was added to a H2ttp (0.26mmol) solution in xylene (100mL), and the mixture was refluxed for 4days. The solvent was removed by evaporation under vacuum. The reaction crude was purified by silica gel column chromatography using a mixture of n-hexane and dichloromethane of increasing polarity as eluent. The pure product was obtained by recrystallization from dichloromethane/hexane as a purple solid in 67% yield. 1H NMR (CDCl3) δ ppm=2.74 (s, 12H, 4×CH3), 7.59 (dd, 8H, J=8.4 and J=0.4Hz, H2 and H6), 8.15 (dd, 8H, J=8.4 and J=1.6Hz, H3 and H5), 8.97 (s, 8H, β-py) ppm. UV-Vis (CH2Cl2): λmx=421 [7.29×107 (logε7.86)], 497 [5.50×106 (logε6.74)], 533 [3.98×107 (logε7.60)], 567 [1.04×107 (logε7.02)]nm. MS (MALDI-TOF): m/z 925.23 calculated for C49H36ClIrN4O; found m/z 859.32 [C48H36IrN4]; m/z 887.26 [C49H36IrN4O]. |