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CAS No. : | 157069-48-2 | MDL No. : | MFCD06654839 |
Formula : | C9H7N3O2 | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | QCNDLFQKKMPZKH-UHFFFAOYSA-N |
M.W : | 189.17 | Pubchem ID : | 3163581 |
Synonyms : |
|
Signal Word: | Warning | Class: | N/A |
Precautionary Statements: | P261-P280-P301+P312-P302+P352-P305+P351+P338 | UN#: | N/A |
Hazard Statements: | H302-H315-H319-H335 | Packing Group: | N/A |
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 |
---|---|---|
55% |
Yield | Reaction Conditions | Operation in experiment |
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54 mg | With benzotriazol-1-ol; triethylamine In N,N-dimethyl-formamide |
Yield | Reaction Conditions | Operation in experiment |
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139 mg | With benzotriazol-1-ol; triethylamine In N,N-dimethyl-formamide |
Yield | Reaction Conditions | Operation in experiment |
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99% | Stage #1: 4-(4H-1,2,4-triazol-4-yl)benzoic acid ethyl ester With water; sodium hydroxide In ethanol for 0.5h; Reflux; Stage #2: With hydrogenchloride In water | 88 Ester 124 (6.8 g, 31.3 mmol) was dispersed into ethanol (70 ml), 1N sodium hydroxide (70 ml) was added, heated and refluxed for 30 minutes. After reaction ended, the solvent was distilled in vacuum, and the residu obtained was dissolved in water. 1N hydrochloric acid (70 ml) was added, precipitated colorless solid was filtered out, washed with water and dried in vacuum, yielding 125 (5.88 g, 99%). > mp330°C APCI-MS m/z 190[M+H]+ IR(Nujol) 1692, 1609cm-1 |
With sodium hydroxide In (2S)-N-methyl-1-phenylpropan-2-amine hydrate; ethanol | R.6 Reference Example 6 Reference Example 6 5.5 ml of a 5N aqueous sodium hydroxide solution was added to a solution of 1.2 g of ethyl 4-(1,2,4-triazol-4-yl)benzoate in 15 ml of ethanol. The mixture was stirred at 50°-60° C. for 1 hour. The reaction mixture was concentrated under reduced pressure. To the residue was added ice water. The mixture was made acidic with acetic acid. The resulting crystals were collected by filtration, water-washed, and dried to obtain 0.95 g of 4-(1,2,4-triazol-4-yl)benzoic acid as a white powder. Melting point: 300° C. or above 1 H-NMR (250 MHz, DMSO-d6) δ ppm: 7.87 (2H, d, J=8.5 Hz), 8.09 (2H, d, J=8.5 Hz), 9.24 (2H, s), 13.21 (1H, brs) | |
275 mg | Stage #1: 4-(4H-1,2,4-triazol-4-yl)benzoic acid ethyl ester With sodium hydroxide In tetrahydrofuran; etanol at 20℃; for 2h; Stage #2: With hydrogenchloride In water |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
68% | In benzene for 7h; Heating; |
Yield | Reaction Conditions | Operation in experiment |
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50% | With NaOH In water High Pressure; aq. soln. of Co salt reacted with ligand, NaOH added (pH 7), stirred at room temp. for 3 h, sealed at 140°C for 3 d; filtered, dried (air); elem. anal.; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
60% | In water High Pressure; Co salt, acid and water in Teflon vessel placed in steel bomb; heated to413 K for 24 h; mixt. cooled slowly to room temp. over 72 h; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
54% | Stage #1: 4-(4′-carboxyphenyl)-1,2,4-triazole With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine In N,N-dimethyl-formamide at 20℃; for 2h; Stage #2: C16H18FNO3 In N,N-dimethyl-formamide at 20 - 50℃; | 88 Carbonic acid 125 (1.89 g, 10 mmol) was dissolved in dried dimethylformamide (50 ml), and further 1-hydroxybenzotriazole (2.026 g, 15 mmol), water-soluble carbodiimide hydrochloride (WSC-HCl) (2.875 g, 15 mmol) and triethylamine (2.02 g, 20 mmol) were added, and stirred at room temperature for 2 hours to react. Next, 128 (2.92 g, 10 mmol) was added to the reaction solution, the temperature raised to 50°C, and it was further reacted for 3 hours. After cooling down, the reaction solution was poured into water, the product was extracted with ethyl acetate, washed with water and saturated saline solution, and dried with anhydrous magnesium sulfate. After solvent distilled, the obtained crude product was purified with column chromatography (silica gel BW300: eluate chloroform: methanol = 20:1), yielding 129 (2.52 g, 54%). mp 175-177° C IR(Nujol) 3312, 1652, 1610cm-1 APCI-MS m/z 463[M+H]+ |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
13.1% | With NaN3 In methanol; N,N-dimethyl-formamide soln. of NaN3 and ligand in DMF-MeOH added slowly to soln. of Ho salt inMeOH; stirred at room temp. for 15 min; filtered; crystd. from filtrate for several d; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
76% | With NaN3 In methanol; N,N-dimethyl-formamide soln. of NaN3 and ligand in DMF-MeOH added slowly to soln. of Dy salt inMeOH; stirred at room temp. for 15 min; filtered; crystd. from filtrate for several d; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
23.3% | With NaN3 In methanol; N,N-dimethyl-formamide soln. of NaN3 and ligand in DMF-MeOH added slowly to soln. of Tb salt inMeOH; stirred at room temp. for 15 min; filtered; crystd. from filtrate for several d; |
Yield | Reaction Conditions | Operation in experiment |
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70% | With toluene-4-sulfonic acid In 5,5-dimethyl-1,3-cyclohexadiene for 24h; Inert atmosphere; Reflux; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
75% | With NEt3; HNO3 In water; N,N-dimethyl-formamide High Pressure; soln. of triazole deriv. in DMF with NEt3 mixed with aq. MnCl2*4H2O at room temp.; 3 M HNO3 added, then EtOH added; soln. sealed in stainless steel reactor, heated at 85°C for 72 h; cooled to room temp.; filtered, washed with DMF and EtOH; elem. anal.; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
70% | With NEt3; HNO3 In water; N,N-dimethyl-formamide High Pressure; soln. of triazole deriv. in DMF with NEt3 mixed with aq. CuSO4*5H2O at room temp.; 3 M HNO3 added, then EtOH added; soln. sealed in stainless steel reactor, heated at 85°C for 72 h; cooled to room temp.; filtered, washed with DMF and EtOH; elem. anal.; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
90% | With NEt3; HNO3 In water; N,N-dimethyl-formamide High Pressure; soln. of triazole deriv. in DMF with NEt3 mixed with aq. CoCl2*6H2O at room temp.; 3 M HNO3 added, then EtOH added; soln. sealed in stainless steel reactor, heated at 85°C for 72 h; cooled to room temp.; filtered, washed with DMF and EtOH; elem. anal.; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
58% | With NEt3; HNO3 In water; N,N-dimethyl-formamide High Pressure; soln. of triazole deriv. in DMF with NEt3 mixed with aq. ZnCl2*6H2O at room temp.; 3 M HNO3 added, then EtOH added; soln. sealed in stainless steel reactor, heated at 85°C for 72 h; cooled to room temp.; filtered, washed with DMF and EtOH; elem. anal.; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
58% | In water at 120℃; for 72h; Autoclave; High pressure; |
Yield | Reaction Conditions | Operation in experiment |
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18% | In ethanol at 90℃; for 24h; |
Yield | Reaction Conditions | Operation in experiment |
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126 mg | In ethanol; water; N,N-dimethyl-formamide at 150℃; for 24h; Autoclave; |
Yield | Reaction Conditions | Operation in experiment |
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65% | In ethanol at 170℃; for 72h; Autoclave; High pressure; |
Yield | Reaction Conditions | Operation in experiment |
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45% | With hydrogenchloride In methanol; water at 80℃; for 48h; High pressure; |
Yield | Reaction Conditions | Operation in experiment |
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65% | at 120℃; for 72h; High pressure; Autoclave; |
Yield | Reaction Conditions | Operation in experiment |
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30% | at 120℃; for 72h; High pressure; Autoclave; |
Yield | Reaction Conditions | Operation in experiment |
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75% | at 120℃; for 72h; High pressure; Autoclave; |
Yield | Reaction Conditions | Operation in experiment |
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78% | at 120℃; for 48h; Autoclave; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
38% | at 95℃; for 72h; High pressure; Autoclave; |
Yield | Reaction Conditions | Operation in experiment |
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40% | at 120℃; for 72h; High pressure; Autoclave; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
55% | In methanol at 120℃; for 72h; High pressure; Autoclave; |
Yield | Reaction Conditions | Operation in experiment |
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70% | at 120℃; for 72h; High pressure; Autoclave; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
62% | at 95℃; for 72h; High pressure; Autoclave; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
32% | With 4,4'-bipyridine In methanol; N,N-dimethyl-formamide at 120℃; for 72h; High pressure; Autoclave; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
15% | In acetonitrile at 95℃; for 72h; High pressure; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
45% | In N,N-dimethyl-formamide at 120℃; for 72h; High pressure; Autoclave; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
48% | In water at 80℃; for 1h; High pressure; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
42% | In water at 80℃; for 1h; High pressure; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
48% | In water at 80℃; for 1h; High pressure; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
69% | In para-xylene for 24h; Reflux; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
80% | In N,N-dimethyl-formamide at 90℃; for 72h; High pressure; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
45% | In acetonitrile at 90℃; for 72h; High pressure; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
70% | With sodium hydroxide In ethanol at 120℃; for 48h; Autoclave; High pressure; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
72% | With sodium hydroxide In ethanol at 120℃; for 48h; Autoclave; High pressure; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
82% | With sodium hydroxide at 120℃; for 48h; Autoclave; High pressure; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
60% | With sodium hydroxide In ethanol at 120℃; for 48h; Autoclave; High pressure; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
47% | In acetonitrile at 160℃; for 72h; Autoclave; High pressure; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
20% | In water at 90℃; for 24h; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
42% | With potassium perchlorate In ethanol at 160℃; for 72h; Autoclave; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
66% | With benzene-1,3,5-tricarboxylic acid In acetonitrile at 160℃; for 72h; Autoclave; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
75.1% | In toluene at 110℃; for 12h; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
36% | at 170℃; for 72h; Sealed tube; High pressure; | 2.2. Synthesis (OH)6Cu16I2(CPT)24](NO3)9(H2O)6(CH3CN)18}n (1) The mixture of Ho(NO3)26H2O (0.1 mmol, 0.032 g), CuI (0.1 mmol, 0.019 g), HCPT (0.1 mmol, 0.020 g), NaOH (0.05 mmol,0.020 mg), 4 ml H2O and 6 ml CH3CN was sealed in a 23 ml Teflon bomb and heated to 170 C for 3 days, and then cooled to room temperature.The yellow crystals were obtained in pure phase, washed with CH3CN, and dried at room temperature (Yield: 36%). Anal. Calcd for C252H216Cu16Ho8I2N99NaO87 (8636): C, 35.05; H,2.52; N, 16.06; Found: C, 34.92; H, 2.61; N, 16.50. IR (KBr cm1): 3133 (s), 1656 (vs), 1569 (m), 1511 (s), 1271 (vs), 1104 (m), 1071 (s),966 (w), 783 (m), 660 (w), 504 (w). |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
70% | With tetrafluoroboric acid at 85℃; for 72h; Autoclave; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
83% | Stage #1: 4-(4′-carboxyphenyl)-1,2,4-triazole With N-ethyl-N,N-diisopropylamine; HATU In acetonitrile for 0.333333h; Stage #2: (S)-dibenzyl 2-(2-ethoxy-4-(5-((((R)-2-((R)-1-(N-hydroxyformamido)propyl)heptanamido)methyl)carbamoyl)furan-2-yl)benzamido)succinate In acetonitrile for 2h; | 157 INTERMEDIATE 157: (S)-dibenzyl 2-(4-(5-((((R)-2-((R)-1-(N-((4-(4H-1 ,2,4-triazol-4- yl)benzoyl)oxy)formamido)propyl)heptanamido)methyl)carbamoyl)furan-2-yl)-2- ethoxybenzamido)succinate INTERMEDIATE 157: (S)-dibenzyl 2-(4-(5-((((R)-2-((R)-1-(N-((4-(4H-1 ,2,4-triazol-4- yl)benzoyl)oxy)formamido)propyl)heptanamido)methyl)carbamoyl)furan-2-yl)-2- ethoxybenzamido)succinate To a solution containing 4-(4H-1 ,2,4-triazol-4-yl)benzoic acid (25.6 mg, 0.135 mmol) and HATU (51.5 mg, 0.135 mmol) in MeCN (1 mL) was added DIPEA (0.064 mL, 0.369 mmol). The reaction was stirred for 20 min, (S)-dibenzyl 2-(2-ethoxy-4-(5-((((R)-2-((R)-1-(N- hydroxyformamido)propyl)heptanamido)methyl)carbamoyl)furan-2-yl)benzamido)succinate (100 mg, 0.123 mmol) was added and the reaction was stirred at RT for 1 h. Water was added and the reaction was extracted with EtOAc. The organic layer was dried over Na2S04 and concentrated. Purification by Si (0-% EtOAc/Hex -> 5%MeOH in DCM) afforded the title compound as transparent foam. (101 mg, 83% yield). MS (m/z) 984.4 (M+H)+ |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
32% | With o-fluoro-benzoic acid at 140℃; for 72h; Autoclave; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
19% | In water; N,N-dimethyl-formamide at 120℃; for 72h; Autoclave; High pressure; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
61% | In acetonitrile at 120℃; for 72h; Autoclave; High pressure; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
70% | With tetrafluoroboric acid In water for 72h; Autoclave; Heating; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
75% | With triethylamine In ethanol for 0.5h; | Synthesis of compound 1 The ligand Hcpt (0.037 g, 0.2 mmol)was dissolved in 10 ml of ethanol that was adjusted to pH 6 withtriethylamine and then slowly added dropwise to a 10 ml aqueoussolution containing CoCl2*6H2O (0.024 g, 0.1 mmol), stirred for0.5 h and filtered. Red block transparent crystals of 1 were obtainedin about 75% yield (based on Co) after the evaporation of the filtrateat room temperature. Elemental analysis for C18H22CoN6O9, calcd(%): C, 41.15; N, 15.99; H, 4.22; found (%): C, 41.17; N, 16.02; H, 4.18. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
65% | With triethylamine In ethanol for 0.5h; | Synthesis of compound 1 General procedure: The ligand Hcpt (0.037 g, 0.2 mmol)was dissolved in 10 ml of ethanol that was adjusted to pH 6 withtriethylamine and then slowly added dropwise to a 10 ml aqueoussolution containing CoCl2*6H2O (0.024 g, 0.1 mmol), stirred for0.5 h and filtered. Red block transparent crystals of 1 were obtainedin about 75% yield (based on Co) after the evaporation of the filtrateat room temperature. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
65% | With triethylamine In ethanol for 0.5h; | Synthesis of compound 1 General procedure: The ligand Hcpt (0.037 g, 0.2 mmol)was dissolved in 10 ml of ethanol that was adjusted to pH 6 withtriethylamine and then slowly added dropwise to a 10 ml aqueoussolution containing CoCl2*6H2O (0.024 g, 0.1 mmol), stirred for0.5 h and filtered. Red block transparent crystals of 1 were obtainedin about 75% yield (based on Co) after the evaporation of the filtrateat room temperature. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
60% | With triethylamine In ethanol for 0.5h; | Synthesis of compound 1 General procedure: The ligand Hcpt (0.037 g, 0.2 mmol)was dissolved in 10 ml of ethanol that was adjusted to pH 6 withtriethylamine and then slowly added dropwise to a 10 ml aqueoussolution containing CoCl2*6H2O (0.024 g, 0.1 mmol), stirred for0.5 h and filtered. Red block transparent crystals of 1 were obtainedin about 75% yield (based on Co) after the evaporation of the filtrateat room temperature. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
at 120℃; for 48h; High pressure; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
48% | With tetrafluoroboric acid In 1,4-dioxane; ethanol at 119.84℃; for 36h; Sealed tube; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
60% | With tetrafluoroboric acid at 119.84℃; for 36h; Sealed tube; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
45% | In methanol at 120℃; for 48h; High pressure; | [(Cu4Cl)(CPT)4(H2O)4]·3NO3·5NMP·3.5H2O} (1) Synthesis of 1 was following the reported method [25]. A mixture of HCPT (20mg, 0.1mmol) and Cu(NO3)2·3H2O (24mg, 0.1mmol) was dissolved in a mixed solvent of NMP (2mL) and MeOH (1mL) in a screw-capped vial. After adding HCl (10μL, 3M, aq), the vial was heated for 48h at 120°C under autogenous pressure. Green polyhedral crystals were obtained after filtration, washed with NMP and MeOH in sequence, and dried in air. Yield: 45% based on Cu. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
61% | In acetonitrile at 120℃; for 48h; High pressure; | [(Cu4Cl)(CPT)4]·(HSiW12O40)·31H2O} (2) A mixture of HCPT (20mg, 0.1mmol), CuCl2·3H2O (24mg, 0.1mmol) and H4SiW12O40 (80mg) was dissolved in a mixed solvent of H2O (4mL) and CH3CN (4mL) in a 25mL Teflon reactor, which was heated at 120°C for 48h under autogenous pressure. After cooling to room temperature, green strip crystals were obtained after filtration, washed with water and dried in air. Yield: 61% based on Cu. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
9.3% | With sodium hydroxide at 120℃; for 72h; Autoclave; High pressure; | 2.3. Synthesis of Zn(UO2)2(cpt)4(bdc)(H2O)2 (2) A mixture of UO2(NO3)2·6H2O (0.0502 g, 0.1 mmol), Hcpt (0.038 g, 0.2 mmol), H2bdc (0.0083 g,0.05 mmol), Zn(NO3)2·6H2O (0.0149 g, 0.05 mmol), NaOH (270 l of 1M solution, 0.270 mmol),and ultrapure water (1 mL) was placed in a 20-mL Teflon-lined autoclave and heated at 120 °Cfor 3 d. After the mixture cooled to room temperature, yellow block crystals of 2 were isolatedfrom the solution with a yield of 0.0145 g (9.3%, based on UO22+). IR (KBr, cm-1): 3383(br,s),1612(w), 1512(w), 1429(m), 1384(m), 1091(s), 1049(vs), 927(m), 881(m), 781(w), 756(w),725(w), 619(w), 517(m) (Figure S1). |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
17.1% | With sodium hydroxide at 150℃; for 72h; Autoclave; High pressure; | 2.2. Synthesis of Cd(UO2)2(cpt)4(bdc)(H2O)2 (1) A mixture of UO2(NO3)2·6H2O (0.0502 g, 0.1 mmol), Hcpt (0.038 g, 0.2 mmol), H2bdc (0.0083 g,0.05 mmol), Cd(NO3)2·4H2O (0.0154 g, 0.05 mmol), NaOH (275 l of 1M solution, 0.275 mmol),and ultrapure water (1 mL) was placed in a 20-mL Teflon-lined autoclave and heated at 150 °Cfor 3 d. After the mixture cooled to room temperature, yellow block crystals of 1 were isolatedfrom the solution with a yield of 0.0274 g (17.1%, based on UO22+). IR (KBr, cm-1): 3570(w),3124(w), 1610(m), 1535(s), 1508(s), 1433(s), 1404(s), 1313(m), 1230(m), 1178(w), 1095(m),1012(m), 925(m), 860(m), 781(m), 727(w), 696(w), 651(w), 621(w), 511(s) (Figure S1). |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
52% | With tetrafluoroboric acid In water at 120℃; for 90h; Autoclave; High pressure; | Synthesis of [Co6(OH)2(H2O)4(cpt)9](NO3)(DMF)13} (1) A mixture of Co(NO3)26H2O (60 mg, 0.2 mmol), Hcpt (35 mg,0.15 mmol), DMF (2.5 mL), H2O (0.5 mL) was sealed in a 25mL Teflon lined stainless steel container. After the addition of 0.5 mL of HBF4 (37%, aq), the mixture was heated to 120 °C with a period of 30 h, andthen kept a 120 °C for 60 h under autogenous pressure. After the mixture was cooled to room temperature with a period of 30 h, a large amount of pink block crystals were obtained. The yield was 52% for 1 based on the Hcpt ligand. Anal. Calcd for C84H131Co6N29O34 (1): C, 41.27; H, 5.40; N,16.62%. Found for: C, 41.22; H, 5.86; N, 16.75%. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
80% | In N,N-dimethyl-formamide at 115℃; for 72h; Autoclave; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
58% | In methanol at 100℃; for 72h; Sealed tube; | 2.1.1 Synthesis of [Co(cpt)2(H2O)2] (1) 1 was synthesized using the following procedure: An 18mg (0.05mmol) portion of Co(ClO4)2·6H2O and a 28.4mg (0.15mmol) portion of p-carboxyphenyl-1,2,4-triazole was dissolved in a mixed solvent containing 1mL of water and 5mL of methanol. The obtained mixture was stirred for several minutes and then filtrated with a Shimadzu filter (MX 0.22 um). The obtained clear mixture was then sealed in a 15mL glass tube. The tube was finally heated in an oven at 100°C for three days. Upon naturally cooling to ambient temperature, X-ray suitable orange crystals were obtained. Yield: 58%. Elemental analysis (%) for C18H16CoN6O6: C, 45.87; H, 3.42; N, 17.83. Found: C, 45.69, H, 3.60; N, 18.12. IR (KBr, cm-1): 3169(m), 2944(s), 1605(vs), 1589(vs), 1535(s), 1410(s), 1253(s), 1095(s), 891(m), 860(m), 790(vs), 703(m). |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
42% | With hydrogen tetrafluoroborate In 1,4-dioxane; ethanol at 120℃; for 36h; | Preparation of [Co(HCOO)(CPT)](DMF)(H2O)} (1) A mixture of Co(NO3)2*6H2O (45 mg, 0.15 mmol), HCPT (40 mg, 0.2 mmol), DMF (2 mL), 1,4-dioxane (2 mL), EtOH (1 mL) and H2O (1 mL) was added into a Teflon-lined stainless steel vessel. After the addition of six drops of HBF4 (40%, aq), the reactor was heated at 120 C in an oven for 36 h, and was cooled to room temperature during the period of 60 h. Pink block crystals of 1 could be obtained on the bottom of the reactor. The yield was 42% for 1 based on the metal salt used. Anal. Calcd forC13H16CoN4O6 (1): C, 40.74; H, 4.21; N, 14.62%; Found for: C, 40.63; H,4.36; N, 14.69%. IR (KBr, cm1, Fig. S1): 3548 (m), 3108 (w), 3058 (m),1582 (s), 1537 (s), 1426 (m), 1383 (m), 1367 (m), 1133 (s), 1022 (m),938 (s), 826 (s), 735 (s), 717 (m), 674 (m), 621 (w), 535 (m), 466 (m). |
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