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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: Benzene-1,3,5-tricarboxylic acid; NSC 3998; TMA
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Search for reports by entering the product batch number.
Batch number can be found on the product's label following the word 'Batch'.
Search for reports by entering the product batch number.
Batch number can be found on the product's label following the word 'Batch'.
Search for reports by entering the product batch number.
Batch number can be found on the product's label following the word 'Batch'.
Search for reports by entering the product batch number.
Batch number can be found on the product's label following the word 'Batch'.
Search for reports by entering the product batch number.
Batch number can be found on the product's label following the word 'Batch'.
CAS No. : | 554-95-0 |
Formula : | C9H6O6 |
M.W : | 210.14 |
SMILES Code : | O=C(C1=CC(C(O)=O)=CC(C(O)=O)=C1)O |
Synonyms : |
Benzene-1,3,5-tricarboxylic acid; NSC 3998; TMA
|
MDL No. : | MFCD00002517 |
InChI Key : | QMKYBPDZANOJGF-UHFFFAOYSA-N |
Pubchem ID : | 11138 |
GHS Pictogram: |
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Signal Word: | Warning |
Hazard Statements: | H315-H319-H335 |
Precautionary Statements: | P261-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 |
---|---|---|
69% | In N,N-dimethyl acetamide; at 20 - 100℃; for 96h; | A mixture of Co(NO3)2·6H2O (0.2mmol, 58.2mg), 1,3-BIP (0.20mmol, 35.2mg), H3BTC (0.20mmol, 42.0mg) and DMA-H2O (2mL+2mL) was placed in a vial, heated to 100C for 3d and then cooled to room temperature over 24h. Yellow block crystals of complex 1 were collected, washed with water and air-dried (yield: 69%). Elemental analysis (wt%) calcd for C36H50Co3N8O22 (Mr=1123.63): C, 38.45; H, 4.44; N, 9.97. Found: C, 38.61; H, 4.74; N, 9.40%. IR (cm-1): 3364 (bs), 3114 (m), 2939 (m), 1618 (s), 1562 (s), 1432 (m), 1374 (s), 1235 (w), 1099 (m), 796 (m). |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
57% | In water; at 20 - 100℃; for 96h; | A mixture of Zn(NO3)2·6H2O (0.2mmol, 58.4mg), 1,3-BIP (0.20mmol, 35.2mg), H3BTC (0.20mmol, 42.0mg) and DMF-H2O (2mL+2mL) was placed in a vial, heated to 100C for 3d and then cooled to room temperature over 24h. The resulting product was colorless block crystals, which were washed with alcohol to give a pure sample (yield: 57%). Elemental analysis (wt%) calcd for C51H56N14O14Zn3 (Mr=1223.09): C, 48.07; H, 4.16; N, 14.88. Found: C, 47.66; H, 4.35; N, 15.25%. IR (cm-1): 3439 (bs), 3120 (m), 2936 (m), 1624 (s), 1574 (s), 1432 (m), 1374 (s), 1335 (m), 1096 (m), 949 (m). |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
39% | In water; at 20 - 100℃; for 96h; | General procedure: A mixture of Co(NO3)2·6H2O (0.2mmol, 58.2mg), 1,3-BIP (0.20mmol, 35.2mg), H3BTC (0.20mmol, 42.0mg) and DMA-H2O (2mL+2mL) was placed in a vial, heated to 100C for 3d and then cooled to room temperature over 24h. Yellow block crystals of complex 1 were collected, washed with water and air-dried (yield: 69%). |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
49% | In methanol; for 0.25h;Heating; | A methanolic (10 mL) solution of H3BTC (0.21 g,1.00 mmol) and BzE (0.27 g, 1.00 mmol) in 1:1 mol ratio was heated for 15 min. The resultant colorless solution was filtered and allowed to stand at room temperature. Colorless block-shaped crystals of compound 1 were obtained by slow evaporation of the solvent in 49 % (0.32 g, 0.49 mmol)yield. Anal Calc. for C68H80N6O20: C, 62.76; H, 6.20; N,6.46. Found: C, 62.32; H, 6.61; N, 6.21 %. IR (KBr, cm-1): 3585, 3343, 3081, 2547, 1879, 1717, 1611, 1463, 1405,1280, 1105, 933, 904, 834, 781, 743, 681, 610, 541, 459. |