Structure of 1258859-29-8
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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. : | 1258859-29-8 |
Formula : | C37H28N8 |
M.W : | 584.67 |
SMILES Code : | C1(C(C2=CC=C(N3C=CN=C3)C=C2)(C4=CC=C(N5C=CN=C5)C=C4)C6=CC=C(N7C=CN=C7)C=C6)=CC=C(N8C=CN=C8)C=C1 |
MDL No. : | MFCD28559404 |
InChI Key : | BYDBEIJETNEJNE-UHFFFAOYSA-N |
Pubchem ID : | 91799111 |
GHS Pictogram: |
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Signal Word: | Warning |
Hazard Statements: | H302-H315-H319-H335 |
Precautionary Statements: | P261-P280-P301+P312-P302+P352-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 |
---|---|---|
In water; acetonitrile; at 150.0℃; for 48h;Microwave irradiation; | Take zinc nitrate hexahydrate Zn(NO3)2·6H2O (0.030g, 0.1mmol),Isophthalic acid 1,3-H2BDC (0.016g, 0.1mmol)And tetra[4-(1-imidazolyl)phenyl]methane (0.029 g, 0.05 mmol)Put in 8mL heat-resistant glass tube,After adding 3 mL of a mixed solvent acetonitrile/water in a volume ratio of 1:1, it was blocked.The temperature was reacted at 150 C for 2 days in an oven, and slowly lowered to room temperature at a rate of 5 C / hour.After filtering, washing with distilled water, drying to obtain yellow crystals as product 1,That is, a zinc coordination polymer having a molecular formula of C53H36N8O8Zn2. |