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CAS No. : | 1353973-60-0 | MDL No. : | MFCD21098362 |
Formula : | C6H8ClN3O2S | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | KZNZMBWUAGLCRI-UHFFFAOYSA-N |
M.W : | 221.66 | Pubchem ID : | 58154325 |
Synonyms : |
|
Num. heavy atoms : | 13 |
Num. arom. heavy atoms : | 6 |
Fraction Csp3 : | 0.33 |
Num. rotatable bonds : | 2 |
Num. H-bond acceptors : | 4.0 |
Num. H-bond donors : | 1.0 |
Molar Refractivity : | 49.44 |
TPSA : | 80.33 Ų |
GI absorption : | High |
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) : | -6.91 cm/s |
Log Po/w (iLOGP) : | 1.19 |
Log Po/w (XLOGP3) : | 1.05 |
Log Po/w (WLOGP) : | 1.47 |
Log Po/w (MLOGP) : | -0.09 |
Log Po/w (SILICOS-IT) : | 0.55 |
Consensus Log Po/w : | 0.83 |
Lipinski : | 0.0 |
Ghose : | None |
Veber : | 0.0 |
Egan : | 0.0 |
Muegge : | 0.0 |
Bioavailability Score : | 0.55 |
Log S (ESOL) : | -2.09 |
Solubility : | 1.82 mg/ml ; 0.00822 mol/l |
Class : | Soluble |
Log S (Ali) : | -2.33 |
Solubility : | 1.04 mg/ml ; 0.0047 mol/l |
Class : | Soluble |
Log S (SILICOS-IT) : | -3.03 |
Solubility : | 0.208 mg/ml ; 0.000938 mol/l |
Class : | Soluble |
PAINS : | 0.0 alert |
Brenk : | 0.0 alert |
Leadlikeness : | 1.0 |
Synthetic accessibility : | 2.2 |
Signal Word: | Warning | Class: | N/A |
Precautionary Statements: | P261-P305+P351+P338 | UN#: | N/A |
Hazard Statements: | 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 |
---|---|---|
28.3% | With tetrakis(triphenylphosphine) palladium(0); sodium carbonate In 1,4-dioxane; water at 90℃; for 12h; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
54.1% | With tetrakis-(triphenylphosphine)-palladium; anhydrous sodium carbonate In 1,4-dioxane; water monomer at 90℃; for 12h; | |
With tetrakis-(triphenylphosphine)-palladium; anhydrous sodium carbonate In 1,4-dioxane; water monomer at 90℃; for 12h; Inert atmosphere; | General synthesis procedure for DC-CBi 1-12, 13-14 General procedure: To a solution of 6 or 9 (1eq.) in 1,4-Dioxane/H2O (10/1) was added 3 (1.2eq.), Na2CO3 (3eq.) and Pd(PPh3)4 (0.1eq.). The mixture was purged with N2 for 3 times and stirred at 90 °C for 12h. The mixture was filtered and purified by column chromatography to give the desired product. | |
With tetrakis-(triphenylphosphine)-palladium; anhydrous sodium carbonate In 1,4-dioxane; water monomer at 90℃; for 12h; Inert atmosphere; | General synthesis procedure for DC-CBi 1-12, 13-14 General procedure: To a solution of 6 or 9 (1eq.) in 1,4-Dioxane/H2O (10/1) was added 3 (1.2eq.), Na2CO3 (3eq.) and Pd(PPh3)4 (0.1eq.). The mixture was purged with N2 for 3 times and stirred at 90 °C for 12h. The mixture was filtered and purified by column chromatography to give the desired product. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
26.7% | With tetrakis(triphenylphosphine) palladium(0); sodium carbonate In 1,4-dioxane; water at 90℃; for 12h; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
20.7% | With tetrakis(triphenylphosphine) palladium(0); sodium carbonate In 1,4-dioxane; water at 90℃; for 12h; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
68.5% | With tetrakis(triphenylphosphine) palladium(0); sodium carbonate In 1,4-dioxane at 90℃; for 12h; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
48.5% | With tetrakis(triphenylphosphine) palladium(0); sodium carbonate In 1,4-dioxane; water at 90℃; for 12h; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
82% | With 3-chloro-benzenecarboperoxoic acid In dichloromethane at 0 - 20℃; for 3h; Inert atmosphere; | Synthesis procedure for 3 To a solution of 2 (1eq.) in DCM was added m-CPBA (2.5eq.) in an ice bath. The mixture was stirred at rt for 3 h under N2 atmosphere. The reaction solution was diluted with DCM, and then washed with Na2S2O3 (sat. aq.), NaOH solution (1M), water and brine, dried over anhydrous Na2SO4. The organic phase was filtered and concentrated to purify by column chromatography to give compound 3 as the desired product. |
With 3-chloro-benzenecarboperoxoic acid In dichloromethane at 0 - 20℃; for 2h; Inert atmosphere; | ||
With 3-chloro-benzenecarboperoxoic acid In dichloromethane at 0 - 20℃; for 3h; Inert atmosphere; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 2 steps 1: triethylamine / dimethyl sulfoxide / 6 h / 60 °C / Inert atmosphere 2: 3-chloro-benzenecarboperoxoic acid / dichloromethane / 2 h / 0 - 20 °C / Inert atmosphere | ||
Multi-step reaction with 2 steps 1: triethylamine / dimethyl sulfoxide / 6 h / 60 °C 2: 3-chloro-benzenecarboperoxoic acid / dichloromethane / 3 h / 0 - 20 °C / Inert atmosphere | ||
Multi-step reaction with 2 steps 1: triethylamine / dimethyl sulfoxide / 6 h / 60 °C / Inert atmosphere 2: 3-chloro-benzenecarboperoxoic acid / dichloromethane / 3 h / 0 - 20 °C / Inert atmosphere |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
43% | With tetrakis-(triphenylphosphine)-palladium; anhydrous sodium carbonate In 1,4-dioxane; water monomer at 90℃; for 12h; Inert atmosphere; | General synthesis procedure for DC-CBi 1-12, 13-14 General procedure: To a solution of 6 or 9 (1eq.) in 1,4-Dioxane/H2O (10/1) was added 3 (1.2eq.), Na2CO3 (3eq.) and Pd(PPh3)4 (0.1eq.). The mixture was purged with N2 for 3 times and stirred at 90 °C for 12h. The mixture was filtered and purified by column chromatography to give the desired product. |
43% | With tetrakis-(triphenylphosphine)-palladium; anhydrous sodium carbonate In 1,4-dioxane; water monomer at 90℃; for 12h; Inert atmosphere; | General synthesis procedure for DC-CBi 1-12, 13-14 General procedure: To a solution of 6 or 9 (1eq.) in 1,4-Dioxane/H2O (10/1) was added 3 (1.2eq.), Na2CO3 (3eq.) and Pd(PPh3)4 (0.1eq.). The mixture was purged with N2 for 3 times and stirred at 90 °C for 12h. The mixture was filtered and purified by column chromatography to give the desired product. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
44% | With tetrakis-(triphenylphosphine)-palladium; anhydrous sodium carbonate In 1,4-dioxane; water monomer at 90℃; for 12h; Inert atmosphere; | General synthesis procedure for DC-CBi 1-12, 13-14 General procedure: To a solution of 6 or 9 (1eq.) in 1,4-Dioxane/H2O (10/1) was added 3 (1.2eq.), Na2CO3 (3eq.) and Pd(PPh3)4 (0.1eq.). The mixture was purged with N2 for 3 times and stirred at 90 °C for 12h. The mixture was filtered and purified by column chromatography to give the desired product. |
44% | With tetrakis-(triphenylphosphine)-palladium; anhydrous sodium carbonate In 1,4-dioxane; water monomer at 90℃; for 12h; Inert atmosphere; | General synthesis procedure for DC-CBi 1-12, 13-14 General procedure: To a solution of 6 or 9 (1eq.) in 1,4-Dioxane/H2O (10/1) was added 3 (1.2eq.), Na2CO3 (3eq.) and Pd(PPh3)4 (0.1eq.). The mixture was purged with N2 for 3 times and stirred at 90 °C for 12h. The mixture was filtered and purified by column chromatography to give the desired product. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
37% | With tetrakis-(triphenylphosphine)-palladium; anhydrous sodium carbonate In 1,4-dioxane; water monomer at 90℃; for 12h; Inert atmosphere; | General synthesis procedure for DC-CBi 1-12, 13-14 General procedure: To a solution of 6 or 9 (1eq.) in 1,4-Dioxane/H2O (10/1) was added 3 (1.2eq.), Na2CO3 (3eq.) and Pd(PPh3)4 (0.1eq.). The mixture was purged with N2 for 3 times and stirred at 90 °C for 12h. The mixture was filtered and purified by column chromatography to give the desired product. |
37% | With tetrakis-(triphenylphosphine)-palladium; anhydrous sodium carbonate In 1,4-dioxane; water monomer at 90℃; for 12h; Inert atmosphere; | General synthesis procedure for DC-CBi 1-12, 13-14 General procedure: To a solution of 6 or 9 (1eq.) in 1,4-Dioxane/H2O (10/1) was added 3 (1.2eq.), Na2CO3 (3eq.) and Pd(PPh3)4 (0.1eq.). The mixture was purged with N2 for 3 times and stirred at 90 °C for 12h. The mixture was filtered and purified by column chromatography to give the desired product. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
45% | With tetrakis-(triphenylphosphine)-palladium; anhydrous sodium carbonate In 1,4-dioxane; water monomer at 90℃; for 12h; Inert atmosphere; | General synthesis procedure for DC-CBi 1-12, 13-14 General procedure: To a solution of 6 or 9 (1eq.) in 1,4-Dioxane/H2O (10/1) was added 3 (1.2eq.), Na2CO3 (3eq.) and Pd(PPh3)4 (0.1eq.). The mixture was purged with N2 for 3 times and stirred at 90 °C for 12h. The mixture was filtered and purified by column chromatography to give the desired product. |
45% | With tetrakis-(triphenylphosphine)-palladium; anhydrous sodium carbonate In 1,4-dioxane; water monomer at 90℃; for 12h; Inert atmosphere; | General synthesis procedure for DC-CBi 1-12, 13-14 General procedure: To a solution of 6 or 9 (1eq.) in 1,4-Dioxane/H2O (10/1) was added 3 (1.2eq.), Na2CO3 (3eq.) and Pd(PPh3)4 (0.1eq.). The mixture was purged with N2 for 3 times and stirred at 90 °C for 12h. The mixture was filtered and purified by column chromatography to give the desired product. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
42% | With tetrakis-(triphenylphosphine)-palladium; anhydrous sodium carbonate In 1,4-dioxane; water monomer at 90℃; for 12h; Inert atmosphere; | General synthesis procedure for DC-CBi 1-12, 13-14 General procedure: To a solution of 6 or 9 (1eq.) in 1,4-Dioxane/H2O (10/1) was added 3 (1.2eq.), Na2CO3 (3eq.) and Pd(PPh3)4 (0.1eq.). The mixture was purged with N2 for 3 times and stirred at 90 °C for 12h. The mixture was filtered and purified by column chromatography to give the desired product. |
42% | With tetrakis-(triphenylphosphine)-palladium; anhydrous sodium carbonate In 1,4-dioxane; water monomer at 90℃; for 12h; Inert atmosphere; | General synthesis procedure for DC-CBi 1-12, 13-14 General procedure: To a solution of 6 or 9 (1eq.) in 1,4-Dioxane/H2O (10/1) was added 3 (1.2eq.), Na2CO3 (3eq.) and Pd(PPh3)4 (0.1eq.). The mixture was purged with N2 for 3 times and stirred at 90 °C for 12h. The mixture was filtered and purified by column chromatography to give the desired product. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
63% | With tetrakis-(triphenylphosphine)-palladium; anhydrous sodium carbonate In 1,4-dioxane; water monomer at 90℃; for 12h; Inert atmosphere; | General synthesis procedure for DC-CBi 1-12, 13-14 General procedure: To a solution of 6 or 9 (1eq.) in 1,4-Dioxane/H2O (10/1) was added 3 (1.2eq.), Na2CO3 (3eq.) and Pd(PPh3)4 (0.1eq.). The mixture was purged with N2 for 3 times and stirred at 90 °C for 12h. The mixture was filtered and purified by column chromatography to give the desired product. |
63% | With tetrakis-(triphenylphosphine)-palladium; anhydrous sodium carbonate In 1,4-dioxane; water monomer at 90℃; for 12h; Inert atmosphere; | General synthesis procedure for DC-CBi 1-12, 13-14 General procedure: To a solution of 6 or 9 (1eq.) in 1,4-Dioxane/H2O (10/1) was added 3 (1.2eq.), Na2CO3 (3eq.) and Pd(PPh3)4 (0.1eq.). The mixture was purged with N2 for 3 times and stirred at 90 °C for 12h. The mixture was filtered and purified by column chromatography to give the desired product. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
67% | With tetrakis-(triphenylphosphine)-palladium; anhydrous sodium carbonate In 1,4-dioxane; water monomer at 90℃; for 12h; Inert atmosphere; | General synthesis procedure for DC-CBi 1-12, 13-14 General procedure: To a solution of 6 or 9 (1eq.) in 1,4-Dioxane/H2O (10/1) was added 3 (1.2eq.), Na2CO3 (3eq.) and Pd(PPh3)4 (0.1eq.). The mixture was purged with N2 for 3 times and stirred at 90 °C for 12h. The mixture was filtered and purified by column chromatography to give the desired product. |
67% | With tetrakis-(triphenylphosphine)-palladium; anhydrous sodium carbonate In 1,4-dioxane; water monomer at 90℃; for 12h; Inert atmosphere; | General synthesis procedure for DC-CBi 1-12, 13-14 General procedure: To a solution of 6 or 9 (1eq.) in 1,4-Dioxane/H2O (10/1) was added 3 (1.2eq.), Na2CO3 (3eq.) and Pd(PPh3)4 (0.1eq.). The mixture was purged with N2 for 3 times and stirred at 90 °C for 12h. The mixture was filtered and purified by column chromatography to give the desired product. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
31% | With tetrakis-(triphenylphosphine)-palladium; anhydrous sodium carbonate In 1,4-dioxane; water monomer at 90℃; for 12h; Inert atmosphere; | General synthesis procedure for DC-CBi 1-12, 13-14 General procedure: To a solution of 6 or 9 (1eq.) in 1,4-Dioxane/H2O (10/1) was added 3 (1.2eq.), Na2CO3 (3eq.) and Pd(PPh3)4 (0.1eq.). The mixture was purged with N2 for 3 times and stirred at 90 °C for 12h. The mixture was filtered and purified by column chromatography to give the desired product. |
31% | With tetrakis-(triphenylphosphine)-palladium; anhydrous sodium carbonate In 1,4-dioxane; water monomer at 90℃; for 12h; Inert atmosphere; | General synthesis procedure for DC-CBi 1-12, 13-14 General procedure: To a solution of 6 or 9 (1eq.) in 1,4-Dioxane/H2O (10/1) was added 3 (1.2eq.), Na2CO3 (3eq.) and Pd(PPh3)4 (0.1eq.). The mixture was purged with N2 for 3 times and stirred at 90 °C for 12h. The mixture was filtered and purified by column chromatography to give the desired product. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
44% | With tetrakis-(triphenylphosphine)-palladium; anhydrous sodium carbonate In 1,4-dioxane; water monomer at 90℃; for 12h; Inert atmosphere; | General synthesis procedure for DC-CBi 1-12, 13-14 General procedure: To a solution of 6 or 9 (1eq.) in 1,4-Dioxane/H2O (10/1) was added 3 (1.2eq.), Na2CO3 (3eq.) and Pd(PPh3)4 (0.1eq.). The mixture was purged with N2 for 3 times and stirred at 90 °C for 12h. The mixture was filtered and purified by column chromatography to give the desired product. |
44% | With tetrakis-(triphenylphosphine)-palladium; anhydrous sodium carbonate In 1,4-dioxane; water monomer at 90℃; for 12h; Inert atmosphere; | General synthesis procedure for DC-CBi 1-12, 13-14 General procedure: To a solution of 6 or 9 (1eq.) in 1,4-Dioxane/H2O (10/1) was added 3 (1.2eq.), Na2CO3 (3eq.) and Pd(PPh3)4 (0.1eq.). The mixture was purged with N2 for 3 times and stirred at 90 °C for 12h. The mixture was filtered and purified by column chromatography to give the desired product. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
59% | With tetrakis-(triphenylphosphine)-palladium; anhydrous sodium carbonate In 1,4-dioxane; lithium hydroxide monohydrate at 90℃; for 12h; Inert atmosphere; | General synthesis procedure for DC-CBi 1-12, 13-14 General procedure: To a solution of 6 or 9 (1eq.) in 1,4-Dioxane/H2O (10/1) was added 3 (1.2eq.), Na2CO3 (3eq.) and Pd(PPh3)4 (0.1eq.). The mixture was purged with N2 for 3 times and stirred at 90 °C for 12h. The mixture was filtered and purified by column chromatography to give the desired product. |
59% | With tetrakis-(triphenylphosphine)-palladium; anhydrous sodium carbonate In 1,4-dioxane; lithium hydroxide monohydrate at 90℃; for 12h; Inert atmosphere; | General synthesis procedure for DC-CBi 1-12, 13-14 General procedure: To a solution of 6 or 9 (1eq.) in 1,4-Dioxane/H2O (10/1) was added 3 (1.2eq.), Na2CO3 (3eq.) and Pd(PPh3)4 (0.1eq.). The mixture was purged with N2 for 3 times and stirred at 90 °C for 12h. The mixture was filtered and purified by column chromatography to give the desired product. |
58.8% | With tetrakis-(triphenylphosphine)-palladium; anhydrous sodium carbonate In 1,4-dioxane; lithium hydroxide monohydrate at 90℃; for 12h; Sealed tube; Inert atmosphere; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
56% | With tetrakis-(triphenylphosphine)-palladium; anhydrous sodium carbonate In 1,4-dioxane; water monomer at 90℃; for 12h; Inert atmosphere; | General synthesis procedure for DC-CBi 1-12, 13-14 General procedure: To a solution of 6 or 9 (1eq.) in 1,4-Dioxane/H2O (10/1) was added 3 (1.2eq.), Na2CO3 (3eq.) and Pd(PPh3)4 (0.1eq.). The mixture was purged with N2 for 3 times and stirred at 90 °C for 12h. The mixture was filtered and purified by column chromatography to give the desired product. |
56% | With tetrakis-(triphenylphosphine)-palladium; anhydrous sodium carbonate In 1,4-dioxane; water monomer at 90℃; for 12h; Inert atmosphere; | General synthesis procedure for DC-CBi 1-12, 13-14 General procedure: To a solution of 6 or 9 (1eq.) in 1,4-Dioxane/H2O (10/1) was added 3 (1.2eq.), Na2CO3 (3eq.) and Pd(PPh3)4 (0.1eq.). The mixture was purged with N2 for 3 times and stirred at 90 °C for 12h. The mixture was filtered and purified by column chromatography to give the desired product. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
51% | With tetrakis-(triphenylphosphine)-palladium; anhydrous sodium carbonate In 1,4-dioxane; water monomer at 90℃; for 12h; Inert atmosphere; | General synthesis procedure for DC-CBi 1-12, 13-14 General procedure: To a solution of 6 or 9 (1eq.) in 1,4-Dioxane/H2O (10/1) was added 3 (1.2eq.), Na2CO3 (3eq.) and Pd(PPh3)4 (0.1eq.). The mixture was purged with N2 for 3 times and stirred at 90 °C for 12h. The mixture was filtered and purified by column chromatography to give the desired product. |
51% | With tetrakis-(triphenylphosphine)-palladium; anhydrous sodium carbonate In 1,4-dioxane; water monomer at 90℃; for 12h; Inert atmosphere; | General synthesis procedure for DC-CBi 1-12, 13-14 General procedure: To a solution of 6 or 9 (1eq.) in 1,4-Dioxane/H2O (10/1) was added 3 (1.2eq.), Na2CO3 (3eq.) and Pd(PPh3)4 (0.1eq.). The mixture was purged with N2 for 3 times and stirred at 90 °C for 12h. The mixture was filtered and purified by column chromatography to give the desired product. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
65.8% | With tetrakis-(triphenylphosphine)-palladium; anhydrous sodium carbonate In 1,4-dioxane; water monomer at 90℃; for 12h; Inert atmosphere; | General synthesis procedure for DC-CBi 1-12, 13-14 General procedure: To a solution of 6 or 9 (1eq.) in 1,4-Dioxane/H2O (10/1) was added 3 (1.2eq.), Na2CO3 (3eq.) and Pd(PPh3)4 (0.1eq.). The mixture was purged with N2 for 3 times and stirred at 90 °C for 12h. The mixture was filtered and purified by column chromatography to give the desired product. |
65.8% | With tetrakis-(triphenylphosphine)-palladium; anhydrous sodium carbonate In 1,4-dioxane; water monomer at 90℃; for 12h; Inert atmosphere; | General synthesis procedure for DC-CBi 1-12, 13-14 General procedure: To a solution of 6 or 9 (1eq.) in 1,4-Dioxane/H2O (10/1) was added 3 (1.2eq.), Na2CO3 (3eq.) and Pd(PPh3)4 (0.1eq.). The mixture was purged with N2 for 3 times and stirred at 90 °C for 12h. The mixture was filtered and purified by column chromatography to give the desired product. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
61% | With tetrakis-(triphenylphosphine)-palladium; anhydrous sodium carbonate In 1,4-dioxane; water monomer at 90℃; for 12h; Inert atmosphere; | General synthesis procedure for DC-CBi 1-12, 13-14 General procedure: To a solution of 6 or 9 (1eq.) in 1,4-Dioxane/H2O (10/1) was added 3 (1.2eq.), Na2CO3 (3eq.) and Pd(PPh3)4 (0.1eq.). The mixture was purged with N2 for 3 times and stirred at 90 °C for 12h. The mixture was filtered and purified by column chromatography to give the desired product. |
61% | With tetrakis-(triphenylphosphine)-palladium; anhydrous sodium carbonate In 1,4-dioxane; water monomer at 90℃; for 12h; Inert atmosphere; | General synthesis procedure for DC-CBi 1-12, 13-14 General procedure: To a solution of 6 or 9 (1eq.) in 1,4-Dioxane/H2O (10/1) was added 3 (1.2eq.), Na2CO3 (3eq.) and Pd(PPh3)4 (0.1eq.). The mixture was purged with N2 for 3 times and stirred at 90 °C for 12h. The mixture was filtered and purified by column chromatography to give the desired product. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
37.7% | With tetrakis-(triphenylphosphine)-palladium; anhydrous sodium carbonate In 1,4-dioxane; lithium hydroxide monohydrate at 90℃; for 12h; Sealed tube; Inert atmosphere; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
49.9% | With tetrakis-(triphenylphosphine)-palladium; anhydrous sodium carbonate In 1,4-dioxane; lithium hydroxide monohydrate at 90℃; for 12h; Sealed tube; Inert atmosphere; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
58.9% | With tetrakis-(triphenylphosphine)-palladium; anhydrous sodium carbonate In 1,4-dioxane; lithium hydroxide monohydrate at 90℃; for 12h; Sealed tube; Inert atmosphere; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
71% | With tetrakis-(triphenylphosphine)-palladium; anhydrous sodium carbonate In 1,4-dioxane; lithium hydroxide monohydrate at 90℃; for 12h; Sealed tube; Inert atmosphere; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
52.7% | With tetrakis-(triphenylphosphine)-palladium; anhydrous sodium carbonate In 1,4-dioxane; lithium hydroxide monohydrate at 90℃; for 12h; Sealed tube; Inert atmosphere; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
19.2% | With tetrakis-(triphenylphosphine)-palladium; anhydrous sodium carbonate In 1,4-dioxane; lithium hydroxide monohydrate at 90℃; for 12h; Sealed tube; Inert atmosphere; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
63.3% | With tetrakis-(triphenylphosphine)-palladium; anhydrous sodium carbonate In 1,4-dioxane; lithium hydroxide monohydrate at 90℃; for 12h; Sealed tube; Inert atmosphere; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
30.1% | With tetrakis-(triphenylphosphine)-palladium; anhydrous sodium carbonate In 1,4-dioxane; lithium hydroxide monohydrate at 90℃; for 12h; Sealed tube; Inert atmosphere; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
54% | With tetrakis-(triphenylphosphine)-palladium; anhydrous sodium carbonate In 1,4-dioxane; lithium hydroxide monohydrate at 90℃; for 12h; Sealed tube; Inert atmosphere; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
47.7% | With tetrakis-(triphenylphosphine)-palladium; anhydrous sodium carbonate In 1,4-dioxane; lithium hydroxide monohydrate at 90℃; for 12h; Sealed tube; Inert atmosphere; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
57.3% | With tetrakis-(triphenylphosphine)-palladium; anhydrous sodium carbonate In 1,4-dioxane; lithium hydroxide monohydrate at 90℃; for 12h; Sealed tube; Inert atmosphere; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
67.3% | With tetrakis-(triphenylphosphine)-palladium; anhydrous sodium carbonate In 1,4-dioxane; lithium hydroxide monohydrate at 90℃; for 12h; Sealed tube; Inert atmosphere; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
62.6% | With tetrakis-(triphenylphosphine)-palladium; anhydrous sodium carbonate In 1,4-dioxane; lithium hydroxide monohydrate at 90℃; for 12h; Sealed tube; Inert atmosphere; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
70.8% | With tetrakis-(triphenylphosphine)-palladium; anhydrous sodium carbonate In 1,4-dioxane; lithium hydroxide monohydrate at 90℃; for 12h; Sealed tube; Inert atmosphere; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
52.6% | With tetrakis-(triphenylphosphine)-palladium; anhydrous sodium carbonate In 1,4-dioxane; lithium hydroxide monohydrate at 90℃; for 12h; Sealed tube; Inert atmosphere; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
47.7% | With tetrakis-(triphenylphosphine)-palladium; anhydrous sodium carbonate In 1,4-dioxane; lithium hydroxide monohydrate at 90℃; for 12h; Sealed tube; Inert atmosphere; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 2 steps 1: anhydrous sodium carbonate; tetrakis-(triphenylphosphine)-palladium / 1,4-dioxane; lithium hydroxide monohydrate / 12 h / 90 °C / Sealed tube; Inert atmosphere 2: palladium 10% on activated carbon; hydrogen / methanol / 6 h / 20 °C |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
50% | With tetrakis-(triphenylphosphine)-palladium; anhydrous sodium carbonate In 1,4-dioxane; lithium hydroxide monohydrate at 90℃; for 12h; Sealed tube; Inert atmosphere; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 3 steps 1: sodium hydrogen sulphide / 1,4-dioxane / 4 h / 50 °C / Inert atmosphere 2: potassium carbonate / methanol; 1,4-dioxane / 2 h / 20 °C 3: anhydrous sodium carbonate; tetrakis-(triphenylphosphine)-palladium / 1,4-dioxane; lithium hydroxide monohydrate / 12 h / 90 °C / Sealed tube; Inert atmosphere |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 2 steps 1: sodium hydrogen sulphide / 1,4-dioxane / 4 h / 50 °C / Inert atmosphere 2: potassium carbonate / methanol; 1,4-dioxane / 2 h / 20 °C |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 2 steps 1: sodium hydrogen sulphide / 1,4-dioxane / 4 h / 50 °C / Inert atmosphere 2: potassium carbonate / methanol; 1,4-dioxane / 2 h / 20 °C |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 3 steps 1: sodium hydrogen sulphide / 1,4-dioxane / 4 h / 50 °C / Inert atmosphere 2: potassium carbonate / methanol; 1,4-dioxane / 2 h / 20 °C 3: anhydrous sodium carbonate; tetrakis-(triphenylphosphine)-palladium / 1,4-dioxane; lithium hydroxide monohydrate / 12 h / 90 °C / Sealed tube; Inert atmosphere |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With sodium hydrogen sulphide In 1,4-dioxane at 50℃; for 4h; Inert atmosphere; |
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