Structure of 143131-66-2
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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. : | 143131-66-2 |
Formula : | C12H12N6 |
M.W : | 240.26 |
SMILES Code : | C(N1N=CN=C1)C1C=CC(=CC=1)CN1N=CN=C1 |
MDL No. : | N/A |
InChI Key : | SDAUVSLAZIXWAU-UHFFFAOYSA-N |
Pubchem ID : | 85653461 |
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 |
---|---|---|
73% | With sodium hydroxide; In water; at 150℃; for 48h;Autoclave; | A mixture of Co(NO3)2·6H2O (0.116 g, 0.40 mmol), 1,4-bis(1,2,4-triazol-1-ylmethyl) benzene (0.024 g, 0.10 mmol), 4-nitrophthalic acid (0.042 g, 0.20 mmol), NaOH (0.008 g, 0.20 mmol) and H2O (10 mL) was sealed in a 25 mL Teflon-lined stainless steel vessel and heated at 150 C for 2 days, and then cooled to room temperature. Red block-shaped crystals were filtered off, washed with water and dried in air. Yield: 73% based on btx. Anal. Calc. for C14H13CoN4O8 (424.21): C, 39.64; H, 3.09; N, 13.21. Found: C, 39.78; H, 3.00; N, 12.98%. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
68% | With sodium carbonate; In water; at 120℃; for 72h;Autoclave; | A mixture of CoCl2·6H2O (23.8 mg, 0.1 mmol), homophthalic acid (18.0 mg, 0.1 mmol), ptmb (24.0 mg, 0.1 mmol) and Na2CO3 (10.6 mg, 0.1 mmol) was placed in a Teflon-lined stainless steel vessel. The mixture was sealed and heated at 120 C for 3 days, and then the reaction system was cooled to room temperature. Pink crystals were obtained in yield (based on Co): 68%. Elemental Anal.: Calc. for (C15H18Co1N3O7): C, 43.80; H, 4.42; N, 10.21. Found: C, 43.13; H, 4.81; N, 10.79%. FT-IR (KBr pellet, cm-1): 3120(br), 1621(s), 1572(s), 1497(m), 1321(m), 1214(w), 1179(m), 1038(w), 989(m), 902(w), 834(w), 766(w), 634(m), 507(w). |