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Type | HazMat fee for 500 gram (Estimated) |
Excepted Quantity | USD 0.00 |
Limited Quantity | USD 15-60 |
Inaccessible (Haz class 6.1), Domestic | USD 80+ |
Inaccessible (Haz class 6.1), International | USD 150+ |
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CAS No. : | 54-25-1 | MDL No. : | MFCD00006472 |
Formula : | C8H11N3O6 | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | WYXSYVWAUAUWLD-SHUUEZRQSA-N |
M.W : | 245.19 | Pubchem ID : | 5901 |
Synonyms : |
|
Num. heavy atoms : | 17 |
Num. arom. heavy atoms : | 6 |
Fraction Csp3 : | 0.62 |
Num. rotatable bonds : | 2 |
Num. H-bond acceptors : | 7.0 |
Num. H-bond donors : | 4.0 |
Molar Refractivity : | 52.06 |
TPSA : | 137.67 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) : | -9.32 cm/s |
Log Po/w (iLOGP) : | 0.32 |
Log Po/w (XLOGP3) : | -2.14 |
Log Po/w (WLOGP) : | -3.78 |
Log Po/w (MLOGP) : | -2.52 |
Log Po/w (SILICOS-IT) : | -1.86 |
Consensus Log Po/w : | -2.0 |
Lipinski : | 0.0 |
Ghose : | None |
Veber : | 0.0 |
Egan : | 1.0 |
Muegge : | 1.0 |
Bioavailability Score : | 0.55 |
Log S (ESOL) : | -0.14 |
Solubility : | 177.0 mg/ml ; 0.723 mol/l |
Class : | Very soluble |
Log S (Ali) : | -0.22 |
Solubility : | 147.0 mg/ml ; 0.6 mol/l |
Class : | Very soluble |
Log S (SILICOS-IT) : | 1.12 |
Solubility : | 3210.0 mg/ml ; 13.1 mol/l |
Class : | Soluble |
PAINS : | 0.0 alert |
Brenk : | 0.0 alert |
Leadlikeness : | 1.0 |
Synthetic accessibility : | 3.88 |
Signal Word: | Danger | Class: | 6.1 |
Precautionary Statements: | P280 | UN#: | 2811 |
Hazard Statements: | H302-H312-H332-H350 | Packing Group: | Ⅲ |
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 |
---|---|---|
(i) NaHCO3, diphenyl carbonate, HMPT, (ii) /BRN= 1072101/, Et3N, MeCN; Multistep reaction; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
1: 62% 2: 12% | In N,N,N,N,N,N-hexamethylphosphoric triamide; toluene for 5.5h; Ambient temperature; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
27.3% | With ribonuclease A In water for 120h; 1) -30 deg C (addition); 2) -10 deg C; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
for 0.0833333h; Ambient temperature; 1 M H2O2, 0.01 mM horseradish peroxidase (HRP), 0.05 M phosphate buffer (pH 8); Yield given. Yields of byproduct given. Title compound not separated from byproducts; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With silica gel; toluene-4-sulfonic acid 1.) room temperature, 2.) CH3OH/CH2Cl2, 3 days; Yield given. Multistep reaction; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
59% | With thionyl chloride In N,N,N,N,N,N-hexamethylphosphoric triamide for 2h; Ambient temperature; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
1: 13% 2: 18% 3: 6.1% | With N,N,N,N,N,N-hexamethylphosphoric triamide; thionyl chloride for 1h; Ambient temperature; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
1: 15% 2: 32% | In N,N-dimethyl-formamide for 24h; Ambient temperature; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
89% | In pyridine; water at 100℃; for 0.75h; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
1.) pyridine, 2.) pyridine; Yield given. Multistep reaction; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With silver nitrate 1.) pyridine, 2.) pyridine, THF; Multistep reaction; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
51% | With toluene-4-sulfonic acid at 20 - 22℃; for 24h; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
43% | With pyridine at 0 - 4℃; for 25h; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
85% | With hydrogen In acetic acid 3 weeks; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
95% | With sodium methylate In methanol at 0℃; for 0.25h; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With acetate; Dowex resin (1x8; sodium cyanoborohydride; sodium hydrogencarbonate; periodic acid 1.) H2O, rt, 2 h, 2.) H2O, rt, 3 h; Yield given. Multistep reaction; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With Dowex resin (1x8, CH3CO2-); periodic acid In water for 6h; Ambient temperature; Yield given; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
97% | With pyridine at 0 - 20℃; for 1h; | |
59% | With pyridine for 72h; Ambient temperature; | |
With pyridine at 20℃; for 5h; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
52% | With sodium hydroxide In dimethyl sulfoxide; acetone |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
23% | With sodium hydroxide In dimethyl sulfoxide; acetone |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
63% | With sodium hydroxide In dimethyl sulfoxide; acetone |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
64% | With sodium hydroxide In dimethyl sulfoxide; acetone |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
84% | With sodium hydroxide In dimethyl sulfoxide; acetone |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
73% | With sodium hydroxide In dimethyl sulfoxide; acetone |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
98% | With sodium hydroxide In dimethyl sulfoxide; acetone |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
93% | With sodium hydroxide In dimethyl sulfoxide; acetone |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
22% | With sodium hydroxide In dimethyl sulfoxide; acetone |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
90% | With sodium hydroxide In dimethyl sulfoxide; acetone |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
37% | With sodium hydroxide In dimethyl sulfoxide; acetone |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
59% | With potassium carbonate In dimethyl sulfoxide; acetone |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
49% | With potassium carbonate In dimethyl sulfoxide; acetone |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
58% | With potassium carbonate In dimethyl sulfoxide; acetone |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
52% | With potassium carbonate In dimethyl sulfoxide; acetone |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
52% | With potassium carbonate In dimethyl sulfoxide; acetone |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
65% | With potassium carbonate In dimethyl sulfoxide; acetone |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With pyridine; dmap at 20℃; for 2h; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
63% | Stage #1: 6-Azauridine With pyridine; water; trichlorophosphate In acetonitrile at 0℃; for 5h; Stage #2: With water In acetonitrile for 1h; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 3 steps 1: 97 percent / pyridine / 1 h / 0 - 20 °C 2: pyridinium p-toluenesulfonate / 55 °C 3: TEMED-HF / acetonitrile / 6 h / 20 °C |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 2 steps 1: 97 percent / pyridine / 1 h / 0 - 20 °C 2: pyridinium p-toluenesulfonate / 55 °C |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 4 steps 1: 97 percent / pyridine / 1 h / 0 - 20 °C 2: pyridinium p-toluenesulfonate / 55 °C 3: TEMED-HF / acetonitrile / 6 h / 20 °C 4: 58 percent / imidazole / tetrahydrofuran / 0.83 h / 0 °C |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 5 steps 1: 97 percent / pyridine / 1 h / 0 - 20 °C 2: pyridinium p-toluenesulfonate / 55 °C 3: TEMED-HF / acetonitrile / 6 h / 20 °C 4: 58 percent / imidazole / tetrahydrofuran / 0.83 h / 0 °C 5: 59 percent / 1H-tetrazole / CH2Cl2 / 7 h / 20 °C |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 2 steps 1.1: pyridine; DMAP / 2 h / 20 °C 2.1: phosphorus oxychloride; triethylamine / acetonitrile / 0.5 h / 0 °C 2.2: acetonitrile / 4 h / 0 - 20 °C |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 4 steps 1.1: pyridine; DMAP / 2 h / 20 °C 2.1: phosphorus oxychloride; triethylamine / acetonitrile / 0.5 h / 0 °C 2.2: acetonitrile / 4 h / 0 - 20 °C 3.1: 226 mg / NH4Cl; DBU / pyridine / 24 h / 20 °C 4.1: NH3 / methanol / 24 h / 20 °C |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 5 steps 1.1: pyridine; DMAP / 2 h / 20 °C 2.1: phosphorus oxychloride; triethylamine / acetonitrile / 0.5 h / 0 °C 2.2: acetonitrile / 4 h / 0 - 20 °C 3.1: 226 mg / NH4Cl; DBU / pyridine / 24 h / 20 °C 4.1: NH3 / methanol / 24 h / 20 °C |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 3 steps 1.1: pyridine; DMAP / 2 h / 20 °C 2.1: phosphorus oxychloride; triethylamine / acetonitrile / 0.5 h / 0 °C 2.2: acetonitrile / 4 h / 0 - 20 °C 3.1: 226 mg / NH4Cl; DBU / pyridine / 24 h / 20 °C |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 2 steps 1: 59 percent / pyridine / 72 h / Ambient temperature 2: 1.0 g / CrO3, pyridine / CH2Cl2 / 30 h / Ambient temperature |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 3 steps 1: 43 percent / pyridine / 25 h / 0 - 4 °C 2: 77 percent / NaN3 / dimethylformamide / 6 h / 70 °C 3: 1.) (Ph)3P, 2.) 10N aq.NH4OH / 1.) pyridine, 3 h, 2.) pyridine, 2 h |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 3 steps 1: 51 percent / p-TsOH / 24 h / 20 - 22 °C 2: pyridine / 3 h / 40 - 50 °C 3: 64 percent / 80percent aq. AcOH / 1 h / Heating |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 2 steps 1: 43 percent / pyridine / 25 h / 0 - 4 °C 2: 77 percent / NaN3 / dimethylformamide / 6 h / 70 °C |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 3 steps 1: 51 percent / p-TsOH / 24 h / 20 - 22 °C 2: 80 percent / pyridine / 1.) 0 deg C, 1 h, 2.) 4 deg C, 24 h 3: 76 percent / NaN3 / dimethylformamide / 6 h / 70 °C |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 4 steps 1: 43 percent / pyridine / 25 h / 0 - 4 °C 2: 77 percent / NaN3 / dimethylformamide / 6 h / 70 °C 3: 1.) (Ph)3P, 2.) 10N aq.NH4OH / 1.) pyridine, 3 h, 2.) pyridine, 2 h 4: 56 percent / H2O; ethanol / 20 h / 20 - 22 °C |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 2 steps 1: 51 percent / p-TsOH / 24 h / 20 - 22 °C 2: pyridine / 3 h / 40 - 50 °C |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 4 steps 1: 51 percent / p-TsOH / 24 h / 20 - 22 °C 2: 80 percent / pyridine / 1.) 0 deg C, 1 h, 2.) 4 deg C, 24 h 3: 76 percent / NaN3 / dimethylformamide / 6 h / 70 °C 4: 1.) (Ph)3P, 2.) 10N aq.NH4OH / 1.) pyridine, 3 h, 2.) pyridine, 2 h |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 2 steps 1: 51 percent / p-TsOH / 24 h / 20 - 22 °C 2: 80 percent / pyridine / 1.) 0 deg C, 1 h, 2.) 4 deg C, 24 h |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 2 steps 1: 62 percent / toluene; hexamethylphosphoric acid triamide / 5.5 h / Ambient temperature 2: 38 percent / CH3ONa, methanol / 0.5 h / Ambient temperature |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 4 steps 1: 59 percent / thionylchloride / hexamethylphosphoric acid triamide / 2 h / Ambient temperature 2: 38 percent / dimethylformamide / 1.5 h / Ambient temperature 3: 45 percent / imidazole / dimethylformamide / 12 h / 150 °C 4: 82 percent / hydrogen chloride / dimethylformamide / 3 h / 100 °C |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 2 steps 1: 59 percent / thionylchloride / hexamethylphosphoric acid triamide / 2 h / Ambient temperature 2: 38 percent / dimethylformamide / 1.5 h / Ambient temperature |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 2 steps 1: 59 percent / thionylchloride / hexamethylphosphoric acid triamide / 2 h / Ambient temperature 2: 61 percent / acetyl chloride / acetic acid / 24 h / Ambient temperature |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 3 steps 1: 59 percent / thionylchloride / hexamethylphosphoric acid triamide / 2 h / Ambient temperature 2: 38 percent / dimethylformamide / 1.5 h / Ambient temperature 3: 45 percent / imidazole / dimethylformamide / 12 h / 150 °C |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 3 steps 1: 1.) p-toluene sulphonic acid, 2.) silica gel / 1.) room temperature, 2.) CH3OH/CH2Cl2, 3 days 2: 1.) tetrazole, 2.) m-chloro perbenzoic acid (55percent) 3: 86 percent / 0.36percent HCl / tetrahydrofuran / 2 h / Ambient temperature |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 2 steps 1: 1.) p-toluene sulphonic acid, 2.) silica gel / 1.) room temperature, 2.) CH3OH/CH2Cl2, 3 days 2: 1.) tetrazole, 2.) m-chloro perbenzoic acid (55percent) |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 4 steps 1: 1.) p-toluene sulphonic acid, 2.) silica gel / 1.) room temperature, 2.) CH3OH/CH2Cl2, 3 days 2: 1.) tetrazole, 2.) m-chloro perbenzoic acid (55percent) 3: 86 percent / 0.36percent HCl / tetrahydrofuran / 2 h / Ambient temperature 4: 100 percent / 25percent aqueous ammonia / methanol / ion-exchange chromatography (Dowex-50 resin) |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
In water-d2 absence of air; 2 equiv. of Ru-complex, > 15 h; not isolated, reaction followed by (1)H-NMR spectroscopy; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With diclazuril In water-d2 absence of air; 2 equiv. of Ru-complex, 15 h, then pH adjustment below 3.0 (DCl); not isolated, reaction followed by (1)H-NMR spectroscopy; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
33% | With hydrogenchloride; orthoformic acid triethyl ester In 1,4-dioxane; N,N-dimethyl-formamide at 20℃; for 4h; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
71.429 % de | With hydrogenchloride; orthoformic acid triethyl ester In 1,4-dioxane; N,N-dimethyl-formamide at 20℃; for 24h; Overall yield = 100 %; | |
With hydrogenchloride; orthoformic acid triethyl ester In 1,4-dioxane; N,N-dimethyl-formamide |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With hydrogenchloride; orthoformic acid triethyl ester In 1,4-dioxane; N,N-dimethyl-formamide at 20℃; for 25h; Overall yield = 54 %; Overall yield = 1.63 g; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
62% | With hydrogenchloride; orthoformic acid triethyl ester In 1,4-dioxane; dichloromethane; N,N-dimethyl-formamide at 20℃; for 75h; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 2 steps 1: orthoformic acid triethyl ester; hydrogenchloride / N,N-dimethyl-formamide; 1,4-dioxane 2: dmap; dicyclohexyl-carbodiimide / N,N-dimethyl-formamide / 21 h / 5 - 20 °C / Inert atmosphere |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 2 steps 1.1: orthoformic acid triethyl ester; hydrogenchloride / N,N-dimethyl-formamide; 1,4-dioxane 2.1: potassium carbonate / N,N-dimethyl-formamide / 0.33 h / 20 °C / Inert atmosphere 2.2: 22 h / 20 °C / Inert atmosphere |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 2 steps 1.1: orthoformic acid triethyl ester; hydrogenchloride / N,N-dimethyl-formamide; 1,4-dioxane 2.1: potassium carbonate / N,N-dimethyl-formamide / 0.33 h / 20 °C / Inert atmosphere 2.2: 24 h / 20 °C / Inert atmosphere |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 2 steps 1: orthoformic acid triethyl ester; hydrogenchloride / N,N-dimethyl-formamide; 1,4-dioxane 2: pyridine / 24 h / 20 °C / Inert atmosphere |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 2 steps 1: orthoformic acid triethyl ester; hydrogenchloride / N,N-dimethyl-formamide; 1,4-dioxane 2: dmap; dicyclohexyl-carbodiimide / dichloromethane / 20 °C / Inert atmosphere; Cooling with ice; Darkness |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
90% | Stage #1: 6-Azauridine With potassium carbonate In N,N-dimethyl-formamide at 20℃; for 0.333333h; Inert atmosphere; Stage #2: prenyl bromide In N,N-dimethyl-formamide at 20℃; for 24h; Inert atmosphere; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
67% | Stage #1: 6-Azauridine With potassium carbonate In N,N-dimethyl-formamide at 20℃; for 24h; Inert atmosphere; Stage #2: trans-geranyl bromide In N,N-dimethyl-formamide at 20℃; for 24h; Inert atmosphere; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
87.4% | Stage #1: 6-Azauridine With potassium carbonate In N,N-dimethyl-formamide at 20℃; for 24h; Inert atmosphere; Stage #2: farnesyl bromide In N,N-dimethyl-formamide at 20℃; for 24h; Inert atmosphere; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
81% | With hydrogenchloride; orthoformic acid triethyl ester In 1,4-dioxane; N,N-dimethyl-formamide at 20℃; for 24h; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With hydrogenchloride; orthoformic acid triethyl ester In 1,4-dioxane; N,N-dimethyl-formamide | ||
With hydrogenchloride; orthoformic acid triethyl ester In 1,4-dioxane; N,N-dimethyl-formamide at 20℃; for 24h; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
99% | With Candida antarctica lipase B In 2,2,4-trimethylpentane; acetone at 55℃; for 4h; Enzymatic reaction; regioselective reaction; | Enzymatic acylation of nucleoside General procedure: In a typical experiment, 6-azauridine (0.04 mmol), C. antarctica lipase B and vinyl ester were added into 2 mL anhydrous organic solvent and the mixture was incubated at a predetermined temperature in an orbital air-bath shaker (200 rpm). Aliquots were withdrawn at specified time intervals from the reaction mixture and then diluted 50-fold with corresponding mobile phase priorto HPLC analysis. Regioselectivity was defined as the molar ratio of the desired product to the total amount of ester products formed. All data are averages of experiments performed in triplicate. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
99% | With Candida antarctica lipase B In 2,2,4-trimethylpentane; acetone at 55℃; for 4.5h; Enzymatic reaction; regioselective reaction; | Enzymatic acylation of nucleoside General procedure: In a typical experiment, 6-azauridine (0.04 mmol), C. antarctica lipase B and vinyl ester were added into 2 mL anhydrous organic solvent and the mixture was incubated at a predetermined temperature in an orbital air-bath shaker (200 rpm). Aliquots were withdrawn at specified time intervals from the reaction mixture and then diluted 50-fold with corresponding mobile phase priorto HPLC analysis. Regioselectivity was defined as the molar ratio of the desired product to the total amount of ester products formed. All data are averages of experiments performed in triplicate. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
99% | With Candida antarctica lipase B In 2,2,4-trimethylpentane; acetone at 55℃; for 4.5h; Enzymatic reaction; regioselective reaction; | Enzymatic acylation of nucleoside General procedure: In a typical experiment, 6-azauridine (0.04 mmol), C. antarctica lipase B and vinyl ester were added into 2 mL anhydrous organic solvent and the mixture was incubated at a predetermined temperature in an orbital air-bath shaker (200 rpm). Aliquots were withdrawn at specified time intervals from the reaction mixture and then diluted 50-fold with corresponding mobile phase priorto HPLC analysis. Regioselectivity was defined as the molar ratio of the desired product to the total amount of ester products formed. All data are averages of experiments performed in triplicate. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
99% | With Candida antarctica lipase B In 2,2,4-trimethylpentane; acetone at 55℃; for 4h; Enzymatic reaction; regioselective reaction; | Enzymatic acylation of nucleoside General procedure: In a typical experiment, 6-azauridine (0.04 mmol), C. antarctica lipase B and vinyl ester were added into 2 mL anhydrous organic solvent and the mixture was incubated at a predetermined temperature in an orbital air-bath shaker (200 rpm). Aliquots were withdrawn at specified time intervals from the reaction mixture and then diluted 50-fold with corresponding mobile phase priorto HPLC analysis. Regioselectivity was defined as the molar ratio of the desired product to the total amount of ester products formed. All data are averages of experiments performed in triplicate. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
99% | With Candida antarctica lipase B In 2,2,4-trimethylpentane; acetone at 55℃; for 4h; Enzymatic reaction; regioselective reaction; | Enzymatic acylation of nucleoside General procedure: In a typical experiment, 6-azauridine (0.04 mmol), C. antarctica lipase B and vinyl ester were added into 2 mL anhydrous organic solvent and the mixture was incubated at a predetermined temperature in an orbital air-bath shaker (200 rpm). Aliquots were withdrawn at specified time intervals from the reaction mixture and then diluted 50-fold with corresponding mobile phase priorto HPLC analysis. Regioselectivity was defined as the molar ratio of the desired product to the total amount of ester products formed. All data are averages of experiments performed in triplicate. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
4.1% | With Candida antarctica lipase B In 2,2,4-trimethylpentane; acetone at 55℃; for 28h; Enzymatic reaction; regioselective reaction; | Enzymatic acylation of nucleoside General procedure: In a typical experiment, 6-azauridine (0.04 mmol), C. antarctica lipase B and vinyl ester were added into 2 mL anhydrous organic solvent and the mixture was incubated at a predetermined temperature in an orbital air-bath shaker (200 rpm). Aliquots were withdrawn at specified time intervals from the reaction mixture and then diluted 50-fold with corresponding mobile phase priorto HPLC analysis. Regioselectivity was defined as the molar ratio of the desired product to the total amount of ester products formed. All data are averages of experiments performed in triplicate. |