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CAS No. : | 1644566-39-1 | MDL No. : | |
Formula : | C17H13N3O4 | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | OMYQMDBEDMTHOJ-UHFFFAOYSA-N |
M.W : | 323.30 | Pubchem ID : | 145710611 |
Synonyms : |
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Signal Word: | Warning | Class: | |
Precautionary Statements: | P261-P280-P301+P312-P302+P352-P305+P351+P338 | UN#: | |
Hazard Statements: | H302-H315-H319-H335 | Packing Group: | |
GHS Pictogram: |
* 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 |
---|---|---|
94.9% | Stage #1: letrozol With sodium hydroxide In water for 6h; Reflux; Stage #2: With hydrogenchloride In water | |
86.1% | Stage #1: letrozol With potassium hydroxide In ethanol; water for 36h; Reflux; Stage #2: With hydrogenchloride In water | |
77% | Stage #1: letrozol With sodium hydroxide In N,N-dimethyl-formamide at 120℃; for 12h; Stage #2: With hydrogenchloride In water; N,N-dimethyl-formamide | Synthesis of H2ltzdc. A mixture of 1-[bis(4-cyanophenyl)methyl]-1,2,4-triazole (5.7 g, 20 mmol) with 3 M NaOH (2.4 g, 60 mmol in 20 mL H2O) in DMF (20 mL)was heated at 120°C for 12 h. Then the reaction mixturewas poured onto ice, acidifi ed with conc. HCl to pH 1,saturated with solid NaCl, and extracted with TBME. Theorganic layer was dried over MgSO4. After fi ltration, thesolvent was removed in vacuum to afford the product asoff-white solid, yield 77%. It was used further withoutadditional purifi cation. IR spectrum, ν, cm-1: 3389-2700(CO-OH), 1696(C=O), 1605 (C=C), 1503 (C=C), 1435(C=C), 1300 (C-O), 835 (C-H). 1H NMR spectrum, δ,ppm: 8.52 (1H, triazole), 8.08 (1H, triazole), 8.04-8.03(4H, C6H4), 7.36-7.34 (4H, C6H4), 7.15 (1H, CH). 13CNMR spectrum, δ, ppm: 169.07, 152.87, 145.70, 144.16,132.23, 131.25, 129.53, 67.60. |
97.43 %Spectr. | With [Rh(6,7-dihydrotribenzo-[e,i,m][1,4,7,12]-ioxadiazacyclotetradecine)]Cl; water; sodium hydroxide at 70℃; for 0.25h; | Hydrolysis of Letrozole In a 100 ml round bottom (RB) flask, 3 ml of LTZ solution (200 lg/ml), 3 ml of NaOH and [Rh(HBACHD)]Cl (Comp.1, 0.02 mmol) were taken and refluxed for 15 min. The contents of RB flask were cooled for 10 min and transferred to 20 ml calibrated tubes. Now, 5 ml of ferric chloride was added to each tube and the total volumes were made up to 20 ml with double distilled water and kept aside for 5 min. The absorbance of the yellow colored solutions was measured at 380 nm against a similar reagent blank (Fig. S1). The amount of HLTZ was assayed from the calibration curve (Fig. S1). The procedure was repeated by changing the rhodium catalysts. |
Alkaline conditions; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
58% | With sodium hydroxide In ethanol at 100℃; for 50h; Autoclave; High pressure; | 2.2.2 [Mn2(TZMB)2(1,4-bib)0.5(H2O)2]·(H2O)2(DMA)}n (2) The synthetic procedure of complex 2 is similar to 1 except that H2TZMB (0.024mmol, 7.8mg), 1,4-bib (0.024mmol, 5.0mg) and MnCl2·4H2O (0.024mmol, 4.73mg) were dissolved in mixed DMA/EtOH/H2O (3mL, v:v:v=1:1:1), added a bit of NaOH aqueous solution (0.05mL, 0.25mol·L-1) and heated at 100°C. The colorless block crystals of 2 were obtained with a yield of 58% (based on H2TZMB). Anal. Calc. (%) for C44H44N9O13Mn2: C, 51.92; H, 4.32; N, 12.39. Found (%): C, 51.34; H, 4.51; N, 12.89. IR (KBr pellet, cm-1): 3460 (w), 3145 (w), 1652 (m), 1614 (s), 1558 (vs), 1417 (vs), 1272 (w), 1124 (w), 995 (w), 838 (w), 779 (w), 649 (w). |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
49% | With sodium hydroxide In water at 150℃; for 48h; High pressure; Autoclave; | [Cd(TZMB)(1,4-bimb)0.5]*2.5H2O} (1) A mixture of H2TZMB (0.024mmol, 7.8 mg), 1,4-bimb (0.024mmol, 7.3 mg) Cd(NO3)2*6H2O(0.036mmol, 11.1mg), NaOH (0.10 ml, 0.25mol/L) aqueous solution and 3mL H2O was sealed in a 25mL Teflon-lined stainless steel vessel and heated at 150 °C for 2880 min, then cooled to 25 C. Colorless block crystals of 1 were obtained with the yield of 49% (based on H2TZMB). Anal. Calcd (%) for C24H23N5O6Cd: C, 48.86; H, 3.93; N, 11.87. Found (%):C, 49.02; H, 3.64; N, 11.91. IR (KBr pellet, cm-1): 3447 (m), 3130 (m),1606 (w), 1590 (s), 1554 (s), 1388 (s), 1075 (s), 844 (s), 744 (s) (Fig. S1). |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
88.35% | With sodium hydroxide In water at 110℃; for 50h; Sealed tube; | 2.2.1. Synthesis of [Zn2((TZMB)2(bim)]*2DMA*EtOH}n (1) NaOH (0.01 mol/L, 0.8 mL) was added into the mixture of the H2TZMB ligand (0.004 mmol, 1.3 mg) and a mixed solvent of DMA/EtOH/H2O (1 mL, v/v/v 2:1:1), and then the mixture was transferred into a glass tube containing bim (0.008 mmol, 0.9 mg) and Zn(NO3)2*6H2O (0.008 mmoL, 2.4 mg). The glass tube was sealed and heated at 110 °C for 3000 min and then naturally cooled to ambient temperature to obtain colorless block crystals. Yield: 88.35% (based on Zn). Anal. calcd (%) for C51H51Zn2N10O11: C, 55.14; H, 4.63; N, 12.61. Found (%): C, 55.02; H, 4.49; N, 12.89. IR (KBr pellet, cm-1): 3448 (vs), 2370 (w), 1616 (s), 1558 (s), 1419 (s), 1282 (s), 1122 (s), 995 (m), 842 (m), 756 (m), 649 (m). |