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CAS No. : | 4371-28-2 | MDL No. : | MFCD16621475 |
Formula : | C16H10O8 | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | QURGMSIQFRADOZ-UHFFFAOYSA-N |
M.W : | 330.25 | Pubchem ID : | 15840397 |
Synonyms : |
|
Num. heavy atoms : | 24 |
Num. arom. heavy atoms : | 12 |
Fraction Csp3 : | 0.0 |
Num. rotatable bonds : | 5 |
Num. H-bond acceptors : | 8.0 |
Num. H-bond donors : | 4.0 |
Molar Refractivity : | 79.72 |
TPSA : | 149.2 Ų |
GI absorption : | Low |
BBB permeant : | No |
P-gp substrate : | No |
CYP1A2 inhibitor : | No |
CYP2C19 inhibitor : | No |
CYP2C9 inhibitor : | No |
CYP2D6 inhibitor : | No |
CYP3A4 inhibitor : | No |
Log Kp (skin permeation) : | -7.14 cm/s |
Log Po/w (iLOGP) : | 0.48 |
Log Po/w (XLOGP3) : | 1.65 |
Log Po/w (WLOGP) : | 2.15 |
Log Po/w (MLOGP) : | 1.97 |
Log Po/w (SILICOS-IT) : | 1.22 |
Consensus Log Po/w : | 1.49 |
Lipinski : | 0.0 |
Ghose : | None |
Veber : | 1.0 |
Egan : | 1.0 |
Muegge : | 0.0 |
Bioavailability Score : | 0.56 |
Log S (ESOL) : | -2.97 |
Solubility : | 0.356 mg/ml ; 0.00108 mol/l |
Class : | Soluble |
Log S (Ali) : | -4.4 |
Solubility : | 0.0133 mg/ml ; 0.0000401 mol/l |
Class : | Moderately soluble |
Log S (SILICOS-IT) : | -2.38 |
Solubility : | 1.37 mg/ml ; 0.00414 mol/l |
Class : | Soluble |
PAINS : | 0.0 alert |
Brenk : | 0.0 alert |
Leadlikeness : | 0.0 |
Synthetic accessibility : | 2.11 |
Signal Word: | Warning | Class: | N/A |
Precautionary Statements: | P305+P351+P338 | UN#: | N/A |
Hazard Statements: | H315-H319 | 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 |
---|---|---|
89% | Stage #1: With sodium hydroxide; water In tetrahydrofuran for 5 h; Heating / reflux Stage #2: With sulfuric acid In water |
A mixture of 3,3',5,5'-tetrakis(methoxycarbonyl)biphenyl (12) (0.96 g, 2.5 mmol), THF (40 mL) and NaOH (1.6 g, 40 mmol) dissolved in water (40 mL) was refluxed for 1 h. Then, the organic solvent was removed under reduced pressure, and the aqueous solution was refluxed again for 4 h. The reaction mixture was cooled and acidified with 50 percent H2SO4. The precipitate was filtrated and dried to obtained 9 as a white powder. Yield 89percent. M.p. > 350 °C. 1H-NMR (400 MHz, DMSO-d6): δ= 8.44 (d, 4H, J =1.5 Hz), 8.53 (t, 2H, J =1.5 Hz,), 13.48 (bs, 4 H). 13C-NMR (100 MHz, DMSO-d6): δ= 129.5, 131.4, 132.3, 139.2, 166.3. MS-EI, m/z (percent): 330 (100) [M+], 313 (40), 285 (15) 240 (5). |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With thionyl chloride; In tetrahydrofuran; for 3h;Heating / reflux; | A mixture of biphenyl-3,3',5,5'- tetracarboxylic acid (13) (0.30 g, 0.90 mmol) and thionyl chloride (0.53 mL, 7.20 mmol) in THF (20 mL) was heated under reflux for 3 h. The solvent was removed in vacuum. Then, THF (4 x 20 mL) was added and again the solvent was removed in vacuum. The crude product was used directly for further reaction. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
82% | With potassium permanganate; water; sodium hydroxide; In tert-butyl alcohol; at 50 - 70℃; for 216h; | The synthesis of H4bptc was carried out according to reported procedure with slight modifications3. 3,3?5,5?-tetramethylbiphenyl (5.0 g, 0.023 mol), NaOH (2.0 g, 0.05 mol) were mixed in t-BuOH/H20 (100/100 mL) with stirring at 50 C. KMn04 (43.0 g, 0.27 mol) was added in portions over one week. The temperature was subsequently increased to 70 C and kept for 2 days. The mixture was filter when hot and the clear filtrate was added into 100 mL 6M HC1. White solid was obtained upon filtration. The crude product was recrystallized from DMF (-100 mL) to give pure H bptc with a yield 82%. |
82% | With potassium permanganate; sodium hydroxide; In water; tert-butyl alcohol; at 50 - 70℃; for 216h; | 3,3?5,5?-tetramethylbiphenyl (5.0 g, 0.023 mol), and NaOH (2.0 g, 0.05 mol) were mixed in t-BuOH/H20 (100 mL/lOO mL) with stirring at 50 C. KMn04 (43.0 g, 0.27 mol) was added in portions over one week. The temperature was subsequently increased to 70 C and kept for 2 days. The mixture was filtered when hot and the clear filtrate was added into 100 mL of 6M HC1. White solid was obtained upon filtration. The crude product was recrystallized from DMF (-100 mL) to give pure H4bptc with a yield of 82%. 'H NMR (400 MHz, DMSO-d6): 5= 13.50 (4H, COOH), 8.51 (2H, Ar-H), 8.42 (4H, Ar-H). |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With thionyl chloride;N,N-dimethyl-formamide; In tetrahydrofuran; water; trifluoroacetic acid; | EXAMPLE 1 Synthesis of 3,5,3',5'-Biphenyltetracarbonyl Tetrakis (3,5-dibromosalicylate), BTDS 1.41 g (4.0 mmol) of t-butyl 3,5-dibromosalicylate and 0.45 g (4.0 mmol) of potassium t-butoxide was stirred in 30 mL of anhydrous THF for 20 m. A solution of 0.40 g(1.0 mmol) of 3,5,3',5'-biphenyltetracarbonyl tetrachloride (prepared, from 3,5,3',5'-biphenyltetra-carboxylic acid, a known compound in the literature, synthesised from the commercially available 5-bromo-m-xylene, the tetracarbonyl tetrachloride being prepared by reaction with thionyl chloride and a catalytic amount of DMF) in 15 mL of anhydrous THF was added and stirring was continued overnight. Water was added to the mixture and the product was extracted with ether. The solution was dried over MgSO4, filtered, and the solvent was evaporated. The white solid was dissolved in 20 mL of anhydrous trifluoroacetic acid, for deprotection, and was allowed to stand at room temperature for 1 h. Then 20 mL of ether was added to the solution producing a white precipitate which was filtered and dried in vacuum (1.1 g, 76%). IR (KBr) 3079 (br s, nuOH), 1736 (S, nuC=O) 1202 (s, nuC--O) cm-1; 1 H NMR (dioxane-d8) delta 9.01 (2 H, t, J=1.6 Hz, ArH), 8.80 (4 H, d, J=1.6 Hz, ArH), 8.21 (8 H, dd, J=4.0 Hz, ArH), 2.57 (4 H, br s, CO2 H); 1 H nmr (DIOXANE-D8) delta 9.01 (2H, t,J=1.6 Hz), 8.80 (4H,d,J=1.6 Hz), 8.21(8H,dd,J=4.0 Hz), 2.57 (4H,brs); 13 C NMR (dioxane-d8) delta 163.56, 162.96, 148.26, 141.65, 140.29, 134.85, 134.72, 131.85, 131.48, 127.55, 120.01; MS (negative FAB): 1441 (M-1) UV (dioxane) lambdamax,1 =230 nm, epsilonmax,1 =133,000, lambdamax,2 =296 nm, epsilonmax,2 =14,000. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
45% | at 100℃; for 72h; | A mixture of Cd(NO3)24H2O (0.060 g, 0.2 mmol), Ca(NO3)24H2O (0.048 g, 0.2 mmol), H4BPTC (0.032 g, 0.10 mmol), DMA(2 mL) and H2O (2 mL) was placed in a small vial. The resulting mixturewas kept at 100 C for 3 days. After being slowly cooled to theroom temperature, colorless block crystals of 1 were isolated. Yield:45% based on H4BPTC. Anal. calc. for C28H35N3O12CdCa (758.08): C,44.32; H, 4.62; N, 5.54%. Found: C, 44.33; H, 4.59; N, 5.56%. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
32% | With sodium hydroxide; In water; at 180℃; for 72h;Sealed tube; | General procedure: A mixture of H2L (28.6mg, 0.1mmol), Cd(NO3)2·4H2O (30.8mg, 0.1mmol), H2BPDA (24.2mg, 0.1mmol) and NaOH (8.0mg, 0.2mmol) in 10mL of H2O was sealed in a 16mL Teflon lined stainless steel container and heated at 180C for 3d. After the reaction mixture was cooled to room temperature, block crystals of 1 were collected with a yield of 32% by filtration and washed with water several times. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
36% | With sodium hydroxide; at 180℃; for 72h;Sealed tube; | A mixture of H2L (28.6mg, 0.1mmol), Co(NO3)2·6H2O (29.1mg, 0.1mmol), H4BPTC (16.5mg, 0.05mmol) and NaOH (8.0mg, 0.2mmol) in 10mL of H2O was sealed in a 16mL Teflon lined stainless steel container and heated at 180C for 3d. After the reaction mixture was cooled to room temperature, block crystals of 5 were collected with a yield of 36%. Anal. Calc. for C26H21N4O6Co: C, 57.36; H, 3.89; N, 10.29. Found: C, 57.52; H, 3.92; N, 10.43%. IR (KBr pellet, cm-1, Fig. S8): 3479 (m), 3225-2856 (m), 1605 (s), 1579 (s), 1491 (w), 1423 (s), 1379 (s), 1358 (s), 1116 (s), 1072 (s), 818 (w), 787 (w), 737 (w), 647 (w), 648 (w), 557 (w), 514 (w). |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
38% | In methanol; at 90℃; for 72h; | General procedure: A mixture of Zn(NO3)26H2O (0.030 g, 0.1 mmol), H3bpt (0.025 g,0.1 mmol), Hdatrz (0.01 g, 0.1 mmol), DMF (3 mL) and CH3OH(1 mL) was placed in a small vial at 90 C for 72 h and then cooledto room temperature slowly. Colorless block crystals were obtainedin 42% yield based on Zn(NO3)26H2O. Anal. calcd. forC36H29N11O12Zn3 (1004.88): C, 42.99; H, 2.89; N, 15.33%. Found: C,42.89; H, 2.85; N, 15.42%. IR (cm1): 3422(w), 1712(m), 1675(s),1587(m), 1509(m), 1389(m), 1378(m), 1109(w), 1025(w), 958(m),893(m), 826(m), 778(w), 690(w), 674(w), 589(w), 562(w). |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
In ethanol; at 120℃; for 50h;Sealed tube; High pressure; | A mixture of Cd(NO3)2·4H2O (30.8mg, 0.1mmol), H4bta (33.0mg, 0.1mmol) and 5mL DMA-EtOH (v:v=1:1) was sealed in a 25mL Teflon-lined reaction vessel, then heated to 120C in 10h and kept at 120C for 50h, then slowly cooled to 30C in 13h. Colorless block crystals of 1 was isolated by filtration, washed with H2O, and dried in air. Elemental analysis calcd (%) for 1 (C52H61Cd4N5O23): C 39.68, H 3.90, N 4.45; found: C 39.98, H 4.65, N 4.42. Selected IR peaks (cm-1): 1578(s), 1403(s), 1343(s), 1017(w), 782(s), 653(s), 584(w). |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Ca. 47% | With sodium hydroxide; at 129.84℃; for 72h;pH 6.5;Autoclave; | A mixture of H4bpta (33.3 mg, 0.1 mmol), 4,40-bipy (31.2 mg,0.2 mmol), CuCl22H2O (34.2 mg, 0.2 mmol) and 8 mL of H2O wasadjusted to approximately pH 6.5 with dilute NaOH solution, andthen transferred to 13 mL Teflon-lined stainless steel and heatedunder autogenous pressure at 403 K for 72 h and then cooled toroom temperature naturally. Blue block-shaped crystals werecollected by filtration, washed with H2O, and dried in air (yield~47%, based on H4bpta). Analysis calculated for C40H32Cd2N8O11 (I):C 55.86, H 3.17, N 3.83%; found: C 56.23, H 3.41, N 3.15%. IR (KBr, n,cm1): 3436m, 1629s, 1608s, 1543s, 1488w, 1419s, 1307s, 1369s,1217w, 1085w, 897w, 814m, 781m, 722m, 711m, 656m, 631m,461w (see Fig. S1, ESIy). |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
58% | In water; at 90℃; for 120h;Autoclave; High pressure; | Solvothermal reactions of Zn(NO3)2·6H2O (0.015g, 0.05mmol) with H4BPTC (0.016g, 0.05mmol) in the mixture of DMF/DMP/H2O (v/v/v=1:1:1) in a sealed Teflon-lined autoclave (25mL) and heated at 90C for 5 d under autogenous pressure. Light yellow square plate crystals were obtained and then filtered, washed with water and DMF, and dried in air. Yield: 0.16g, 58%. Anal. Calcd. for Zn4(C16H8O8)2(HCOO)4: C, 39.61; H, 1.82. Found: C, 39.58; H, 1.85. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
57.4% | In water; N,N-dimethyl-formamide; at 160℃; for 72h;Autoclave; High pressure; | A mixture of 0.5 mmol of 3,5,3',5'-biphenyltetracarboxylic acid, 1 mmol of 1,4-bisimidazole benzene and 1 mmol of cobalt nitrate was dissolved in 10 mL of distilled water and 5 mL of DMF and stirred at room temperature for 20 min and transferred to a polytetrafluoroethylene autoclave high pressure reaction and allowed to stand in an oven at 160 C for 72 hours and then reduced to 4 C / hour to room temperature to obtain the three-dimensional coordination polymer with a double-core structure C40H34Co2N8O3 in a yield of 57.4% (based on Co). |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
38.5% | In water; N,N-dimethyl-formamide; at 140℃; for 70h;Autoclave; High pressure; | A mixture of 0.5 mmol of 3,5,3',5'-biphenyltetracarboxylic acid, 1 mmol of 1,4-bisimidazole benzene and 0.9 mmol of cobalt chloride was dissolved in 12 mL of distilled water and 5 mL of DMF and stirred at room temperature for 20 min and transferred to a polytetrafluoroethylene autoclave high pressure reaction and allowed to stand in an oven at 140 C for 70 hours and then reduced to 5 C / hour to room temperature to obtain the three-dimensional coordination polymer with a double-core structure C40H34Co2N8O3 in a yield of 38.5% (based on Co). |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
36% | With tetrafluoroboric acid; In N,N-dimethyl-formamide; at 85℃; for 72h;pH 4;Autoclave; High pressure; | A mixture of Co(NO3)2·6H2O (29.1mg, 0.1mmol) and H4bptc (33.0mg, 0.1mmol) was dissolved in distilled water and N, N-Dimethylformamide (DMF), adjusting the pH value to 4 with HBF4. The final mixture was sealed in a 15ml Parr Teflon-lined stainless-steel vessel and heated at 85C for 3days, and then the reaction system was cooled to room temperature. Red block crystals of 1 were obtained, washed with water, and dried under ambient conditions. (Yields: 36% for 1 based on H4bptc). Elemental analysis (%) calcd for (C32H50Co4O35): C, 31.24; H, 4.10. Found: C, 31.11; H, 4.06. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With nitric acid; In water; at 110℃; for 24h;Autoclave; High pressure; | General procedure: The preparation of solid-state samples of LnL (Ln=Eu, Tb, Sm and Dy) were carried out according the literature [27]. Taking EuL as an example, Eu(NO3)3·6H2O (0.4 mmol in 5mL H2O) and H4BPTC (0.0660g, 0.2mmol) were dispersed in DMF (8 mL) and 6M HNO3 (2.5mL, pH=2.0) in a 23 mL Teflon-lined autoclave and then heated under autogenous pressure at 110C for one day, then cooled to room temperature under ambient conditions. Colorless sheet crystals was recovered by filtration, washed with distilled water, and dried in air. Other crystals were synthesized similar to EuL using compounds Ln(NO3)3·6H2O. GdL was obtained by employing the same synthetic method, but the poor crystallization make it not suitable for X-ray Crystallographic Determination. We combined XRD, TGA, elemental analyses and electron count to confirm that Gd compound is isomorphous to LnL (Ln=Eu, Tb, Sm and Dy). Yield: 82% (based on H4BPTC ligand). Element analysis (%) calcd for: C 37.31, H 3.30, N 2.29; found: C 37.25, H 3.25, N 2.28. Selected IR data (KBr pellet cm-1): 3423 (s), 1645 (s), 1542 (s), 1354 (m), 1078 (m), 775 (w), 618 (w). |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With nitric acid; In water; at 110℃; for 24h;Autoclave; High pressure; | General procedure: The preparation of solid-state samples of LnL (Ln=Eu, Tb, Sm and Dy) were carried out according the literature [27]. Taking EuL as an example, Eu(NO3)3·6H2O (0.4 mmol in 5mL H2O) and H4BPTC (0.0660g, 0.2mmol) were dispersed in DMF (8 mL) and 6M HNO3 (2.5mL, pH=2.0) in a 23 mL Teflon-lined autoclave and then heated under autogenous pressure at 110C for one day, then cooled to room temperature under ambient conditions. Colorless sheet crystals was recovered by filtration, washed with distilled water, and dried in air. Other crystals were synthesized similar to EuL using compounds Ln(NO3)3·6H2O. GdL was obtained by employing the same synthetic method, but the poor crystallization make it not suitable for X-ray Crystallographic Determination. We combined XRD, TGA, elemental analyses and electron count to confirm that Gd compound is isomorphous to LnL (Ln=Eu, Tb, Sm and Dy). Yield: 82% (based on H4BPTC ligand). Element analysis (%) calcd for: C 37.31, H 3.30, N 2.29; found: C 37.25, H 3.25, N 2.28. Selected IR data (KBr pellet cm-1): 3423 (s), 1645 (s), 1542 (s), 1354 (m), 1078 (m), 775 (w), 618 (w). |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With nitric acid; In water; at 110℃; for 24h;Autoclave; High pressure; | General procedure: The preparation of solid-state samples of LnL (Ln=Eu, Tb, Sm and Dy) were carried out according the literature [27]. Taking EuL as an example, Eu(NO3)3·6H2O (0.4 mmol in 5mL H2O) and H4BPTC (0.0660g, 0.2mmol) were dispersed in DMF (8 mL) and 6M HNO3 (2.5mL, pH=2.0) in a 23 mL Teflon-lined autoclave and then heated under autogenous pressure at 110C for one day, then cooled to room temperature under ambient conditions. Colorless sheet crystals was recovered by filtration, washed with distilled water, and dried in air. Other crystals were synthesized similar to EuL using compounds Ln(NO3)3·6H2O. GdL was obtained by employing the same synthetic method, but the poor crystallization make it not suitable for X-ray Crystallographic Determination. We combined XRD, TGA, elemental analyses and electron count to confirm that Gd compound is isomorphous to LnL (Ln=Eu, Tb, Sm and Dy). Yield: 82% (based on H4BPTC ligand). Element analysis (%) calcd for: C 37.31, H 3.30, N 2.29; found: C 37.25, H 3.25, N 2.28. Selected IR data (KBr pellet cm-1): 3423 (s), 1645 (s), 1542 (s), 1354 (m), 1078 (m), 775 (w), 618 (w). |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With nitric acid; In water; at 110℃; for 24h;Autoclave; High pressure; | General procedure: The preparation of solid-state samples of LnL (Ln=Eu, Tb, Sm and Dy) were carried out according the literature [27]. Taking EuL as an example, Eu(NO3)3·6H2O (0.4 mmol in 5mL H2O) and H4BPTC (0.0660g, 0.2mmol) were dispersed in DMF (8 mL) and 6M HNO3 (2.5mL, pH=2.0) in a 23 mL Teflon-lined autoclave and then heated under autogenous pressure at 110C for one day, then cooled to room temperature under ambient conditions. Colorless sheet crystals was recovered by filtration, washed with distilled water, and dried in air. Other crystals were synthesized similar to EuL using compounds Ln(NO3)3·6H2O. GdL was obtained by employing the same synthetic method, but the poor crystallization make it not suitable for X-ray Crystallographic Determination. We combined XRD, TGA, elemental analyses and electron count to confirm that Gd compound is isomorphous to LnL (Ln=Eu, Tb, Sm and Dy). Yield: 82% (based on H4BPTC ligand). Element analysis (%) calcd for: C 37.31, H 3.30, N 2.29; found: C 37.25, H 3.25, N 2.28. Selected IR data (KBr pellet cm-1): 3423 (s), 1645 (s), 1542 (s), 1354 (m), 1078 (m), 775 (w), 618 (w). |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With nitric acid; In water; at 110℃; for 24h;Autoclave; High pressure; | General procedure: The preparation of solid-state samples of LnL (Ln=Eu, Tb, Sm and Dy) were carried out according the literature [27]. Taking EuL as an example, Eu(NO3)3·6H2O (0.4 mmol in 5mL H2O) and H4BPTC (0.0660g, 0.2mmol) were dispersed in DMF (8 mL) and 6M HNO3 (2.5mL, pH=2.0) in a 23 mL Teflon-lined autoclave and then heated under autogenous pressure at 110C for one day, then cooled to room temperature under ambient conditions. Colorless sheet crystals was recovered by filtration, washed with distilled water, and dried in air. Other crystals were synthesized similar to EuL using compounds Ln(NO3)3·6H2O. GdL was obtained by employing the same synthetic method, but the poor crystallization make it not suitable for X-ray Crystallographic Determination. We combined XRD, TGA, elemental analyses and electron count to confirm that Gd compound is isomorphous to LnL (Ln=Eu, Tb, Sm and Dy). Yield: 82% (based on H4BPTC ligand). Element analysis (%) calcd for: C 37.31, H 3.30, N 2.29; found: C 37.25, H 3.25, N 2.28. Selected IR data (KBr pellet cm-1): 3423 (s), 1645 (s), 1542 (s), 1354 (m), 1078 (m), 775 (w), 618 (w). |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With nitric acid; In water; at 110℃; for 24h;Autoclave; High pressure; | General procedure: The preparation of solid-state samples of LnL (Ln=Eu, Tb, Sm and Dy) were carried out according the literature [27]. Taking EuL as an example, Eu(NO3)3·6H2O (0.4 mmol in 5mL H2O) and H4BPTC (0.0660g, 0.2mmol) were dispersed in DMF (8 mL) and 6M HNO3 (2.5mL, pH=2.0) in a 23 mL Teflon-lined autoclave and then heated under autogenous pressure at 110C for one day, then cooled to room temperature under ambient conditions. Colorless sheet crystals was recovered by filtration, washed with distilled water, and dried in air. Other crystals were synthesized similar to EuL using compounds Ln(NO3)3·6H2O. GdL was obtained by employing the same synthetic method, but the poor crystallization make it not suitable for X-ray Crystallographic Determination. We combined XRD, TGA, elemental analyses and electron count to confirm that Gd compound is isomorphous to LnL (Ln=Eu, Tb, Sm and Dy). Yield: 82% (based on H4BPTC ligand). Element analysis (%) calcd for: C 37.31, H 3.30, N 2.29; found: C 37.25, H 3.25, N 2.28. Selected IR data (KBr pellet cm-1): 3423 (s), 1645 (s), 1542 (s), 1354 (m), 1078 (m), 775 (w), 618 (w). |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With nitric acid; In water; at 110℃; for 24h;Autoclave; High pressure; | General procedure: The preparation of solid-state samples of LnL (Ln=Eu, Tb, Sm and Dy) were carried out according the literature [27]. Taking EuL as an example, Eu(NO3)3·6H2O (0.4 mmol in 5mL H2O) and H4BPTC (0.0660g, 0.2mmol) were dispersed in DMF (8 mL) and 6M HNO3 (2.5mL, pH=2.0) in a 23 mL Teflon-lined autoclave and then heated under autogenous pressure at 110C for one day, then cooled to room temperature under ambient conditions. Colorless sheet crystals was recovered by filtration, washed with distilled water, and dried in air. Other crystals were synthesized similar to EuL using compounds Ln(NO3)3·6H2O. GdL was obtained by employing the same synthetic method, but the poor crystallization make it not suitable for X-ray Crystallographic Determination. We combined XRD, TGA, elemental analyses and electron count to confirm that Gd compound is isomorphous to LnL (Ln=Eu, Tb, Sm and Dy). Yield: 82% (based on H4BPTC ligand). Element analysis (%) calcd for: C 37.31, H 3.30, N 2.29; found: C 37.25, H 3.25, N 2.28. Selected IR data (KBr pellet cm-1): 3423 (s), 1645 (s), 1542 (s), 1354 (m), 1078 (m), 775 (w), 618 (w). |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With nitric acid; In water; at 110℃; for 24h;Autoclave; High pressure; | General procedure: The preparation of solid-state samples of LnL (Ln=Eu, Tb, Sm and Dy) were carried out according the literature [27]. Taking EuL as an example, Eu(NO3)3·6H2O (0.4 mmol in 5mL H2O) and H4BPTC (0.0660g, 0.2mmol) were dispersed in DMF (8 mL) and 6M HNO3 (2.5mL, pH=2.0) in a 23 mL Teflon-lined autoclave and then heated under autogenous pressure at 110C for one day, then cooled to room temperature under ambient conditions. Colorless sheet crystals was recovered by filtration, washed with distilled water, and dried in air. Other crystals were synthesized similar to EuL using compounds Ln(NO3)3·6H2O. GdL was obtained by employing the same synthetic method, but the poor crystallization make it not suitable for X-ray Crystallographic Determination. We combined XRD, TGA, elemental analyses and electron count to confirm that Gd compound is isomorphous to LnL (Ln=Eu, Tb, Sm and Dy). Yield: 82% (based on H4BPTC ligand). Element analysis (%) calcd for: C 37.31, H 3.30, N 2.29; found: C 37.25, H 3.25, N 2.28. Selected IR data (KBr pellet cm-1): 3423 (s), 1645 (s), 1542 (s), 1354 (m), 1078 (m), 775 (w), 618 (w). |
Tags: 4371-28-2 synthesis path| 4371-28-2 SDS| 4371-28-2 COA| 4371-28-2 purity| 4371-28-2 application| 4371-28-2 NMR| 4371-28-2 COA| 4371-28-2 structure
[ 1799412-42-2 ]
4-(1-(o-Tolyl)vinyl)benzoic acid
Similarity: 0.97
[ 1799412-42-2 ]
4-(1-(o-Tolyl)vinyl)benzoic acid
Similarity: 0.97
[ 59662-46-3 ]
4'-Butyl-[1,1'-biphenyl]-4-carboxylic acid
Similarity: 0.97
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