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CAS No. : | 6950-92-1 | MDL No. : | MFCD00020609 |
Formula : | C11H16O | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | FQZPTDPHVFTOSY-UHFFFAOYSA-N |
M.W : | 164.24 | Pubchem ID : | 81389 |
Synonyms : |
|
Num. heavy atoms : | 12 |
Num. arom. heavy atoms : | 6 |
Fraction Csp3 : | 0.45 |
Num. rotatable bonds : | 2 |
Num. H-bond acceptors : | 1.0 |
Num. H-bond donors : | 1.0 |
Molar Refractivity : | 52.27 |
TPSA : | 20.23 Ų |
GI absorption : | High |
BBB permeant : | Yes |
P-gp substrate : | No |
CYP1A2 inhibitor : | No |
CYP2C19 inhibitor : | No |
CYP2C9 inhibitor : | No |
CYP2D6 inhibitor : | Yes |
CYP3A4 inhibitor : | No |
Log Kp (skin permeation) : | -5.46 cm/s |
Log Po/w (iLOGP) : | 2.24 |
Log Po/w (XLOGP3) : | 2.59 |
Log Po/w (WLOGP) : | 2.15 |
Log Po/w (MLOGP) : | 2.78 |
Log Po/w (SILICOS-IT) : | 3.45 |
Consensus Log Po/w : | 2.64 |
Lipinski : | 0.0 |
Ghose : | None |
Veber : | 0.0 |
Egan : | 0.0 |
Muegge : | 2.0 |
Bioavailability Score : | 0.55 |
Log S (ESOL) : | -2.73 |
Solubility : | 0.307 mg/ml ; 0.00187 mol/l |
Class : | Soluble |
Log S (Ali) : | -2.66 |
Solubility : | 0.356 mg/ml ; 0.00217 mol/l |
Class : | Soluble |
Log S (SILICOS-IT) : | -3.78 |
Solubility : | 0.027 mg/ml ; 0.000164 mol/l |
Class : | Soluble |
PAINS : | 0.0 alert |
Brenk : | 0.0 alert |
Leadlikeness : | 1.0 |
Synthetic accessibility : | 1.2 |
Signal Word: | Warning | Class: | N/A |
Precautionary Statements: | P305+P351+P338 | UN#: | N/A |
Hazard Statements: | 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 |
---|---|---|
With diethyl ether; benzene | ||
(i) Et2O, (ii) H2SO4; Multistep reaction; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With phosphorus tribromide | ||
With phosphorus tribromide In tetrachloromethane at 60℃; for 1h; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With pyridine; thionyl chloride In diethyl ether |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Stage #1: 2,4,6-trimethylstyrene With benzo[1,3,2]dioxaborole In toluene at 20℃; for 2h; Stage #2: With sodium hydroxide; water; dihydrogen peroxide In toluene at 20℃; for 2h; Title compound not separated from byproducts; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
99% | With sulfur trioxide pyridine complex; dimethyl sulfoxide; triethylamine | |
78% | ||
71% | With Dess-Martin periodane In dichloromethane at 0 - 20℃; for 4.33333h; | Mesitylacetaldehyde;2-Mesitylethanol (0.99g, 6.0mmol) was dissolved in DCM (10.OmL, dry) and cooled to 0°C. l,l,l-Tris(acetyloxy)-lλ5,2-benziodoxol-3(lH)-one (Dess-Martin periodinane) in DCM (15 wt %, 2.8Og, 6.60mmol) was added dropwise over a period of 20 mins. The ice bath was removed and the reaction mixture was stirred at rt for 4h. NaOH (2N, 5mL) was added to the mixture and it was diluted with water (5mL). The layers were separated and the organic layer was washed with water, dried over Na2SO4, and evaporated. The residue was purified by column chromatography on silica gel using heptane and EtOAc as eluant giving the title compound (0.69g, 71%). 1H NMR (CDCl3, 400MHz) δ 9.68-9.65 (m, IH), 6.94-6.90 (m, 2H), 3.75-3.71 (m, 2H), 2.29 (s, 3H), 2.27 (s, 6H). |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
98% | Stage #1: 2,4,6-trimethylphenyl bromide With magnesium Stage #2: oxirane | |
Stage #1: 2,4,6-trimethylphenyl bromide With ethyl bromide; magnesium In tetrahydrofuran at 30℃; for 6.5h; Stage #2: oxirane In tetrahydrofuran at -15 - 20℃; for 12h; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
82% | With pyridine; dmap |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 4 steps 1: 82 percent / pyridine; DMAP 2: 54 percent / I2; PhI(OOCCF3)2 3: 47 percent / Et3N / Pd(PPh3)2Cl2 4: 96 percent / KF; 18-crown-6 |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 5 steps 1: 82 percent / pyridine; DMAP 2: 54 percent / I2; PhI(OOCCF3)2 3: 47 percent / Et3N / Pd(PPh3)2Cl2 4: 96 percent / KF; 18-crown-6 5: 72 percent / TfOH / Au(PPh3)CH3 / methanol; H2O |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 7 steps 1: 82 percent / pyridine; DMAP 2: 54 percent / I2; PhI(OOCCF3)2 3: 47 percent / Et3N / Pd(PPh3)2Cl2 4: 96 percent / KF; 18-crown-6 5: 72 percent / TfOH / Au(PPh3)CH3 / methanol; H2O 6: 67 percent / N-methylimidazole / Irradiation |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 7 steps 1: 82 percent / pyridine; DMAP 2: 54 percent / I2; PhI(OOCCF3)2 3: 47 percent / Et3N / Pd(PPh3)2Cl2 4: 96 percent / KF; 18-crown-6 5: 72 percent / TfOH / Au(PPh3)CH3 / methanol; H2O 6: 17 percent / N-methylimidazole / 2-methyl-propan-2-ol / Irradiation |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 3 steps 1: 82 percent / pyridine; DMAP 2: 54 percent / I2; PhI(OOCCF3)2 3: 47 percent / Et3N / Pd(PPh3)2Cl2 |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 6 steps 1: 82 percent / pyridine; DMAP 2: 54 percent / I2; PhI(OOCCF3)2 3: 47 percent / Et3N / Pd(PPh3)2Cl2 4: 96 percent / KF; 18-crown-6 5: 72 percent / TfOH / Au(PPh3)CH3 / methanol; H2O |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 9 steps 1: 82 percent / pyridine; DMAP 2: 54 percent / I2; PhI(OOCCF3)2 3: 47 percent / Et3N / Pd(PPh3)2Cl2 4: 96 percent / KF; 18-crown-6 5: 72 percent / TfOH / Au(PPh3)CH3 / methanol; H2O 6: 17 percent / N-methylimidazole / 2-methyl-propan-2-ol / Irradiation 7: 91 percent / K2CO3 / methanol 8: 43 percent / LDA |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 8 steps 1: 82 percent / pyridine; DMAP 2: 54 percent / I2; PhI(OOCCF3)2 3: 47 percent / Et3N / Pd(PPh3)2Cl2 4: 96 percent / KF; 18-crown-6 5: 72 percent / TfOH / Au(PPh3)CH3 / methanol; H2O 6: 17 percent / N-methylimidazole / 2-methyl-propan-2-ol / Irradiation 7: 91 percent / K2CO3 / methanol |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 7 steps 1: 82 percent / pyridine; DMAP 2: 54 percent / I2; PhI(OOCCF3)2 3: 47 percent / Et3N / Pd(PPh3)2Cl2 4: 96 percent / KF; 18-crown-6 5: 72 percent / TfOH / Au(PPh3)CH3 / methanol; H2O 6: 17 percent / N-methylimidazole / 2-methyl-propan-2-ol / Irradiation |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 2 steps 1.1: 78 percent 2.1: n-BuLi / tetrahydrofuran; hexane 2.2: 58 percent / tetrahydrofuran; hexane / -90 - 20 °C |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 4 steps 1.1: 78 percent 2.1: n-BuLi / tetrahydrofuran; hexane 2.2: 58 percent / tetrahydrofuran; hexane / -90 - 20 °C 3.1: 95 percent / NaOH / H2O; methanol / 96 h / Heating 4.1: 90 percent / diethyl ether |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 3 steps 1.1: 78 percent 2.1: n-BuLi / tetrahydrofuran; hexane 2.2: 58 percent / tetrahydrofuran; hexane / -90 - 20 °C 3.1: 95 percent / NaOH / H2O; methanol / 96 h / Heating |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 2 steps 1: LiAlH4; diethyl ether 2: hydrogen; CO; benzene / 190 °C / Reagens 4: Octacarbonyldikobalt; Reagens 5: CoCO3 |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 2 steps 1: LiAlH4; diethyl ether 2: hydrogen; CO; benzene / 190 °C / Reagens 4: Octacarbonyldikobalt; Reagens 5: CoCO3 |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 2 steps 1: (i) TsCl, Py, (ii) /BRN= 4163558/ 2: aq. H2O2, AcOH / Heating |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
In tetrahydrofuran | XII 1-[2-(2,4,6-trimethyl-phenyl)-ethyl]-3-methyl-7-(3-methyl-2-buten-1-yl)-8-bromo-xanthine EXAMPLE XII 1-[2-(2,4,6-trimethyl-phenyl)-ethyl]-3-methyl-7-(3-methyl-2-buten-1-yl)-8-bromo-xanthine Prepared by reacting 3-methyl-7-(3-methyl-2-buten-1-yl)-8-bromo-xanthine with 2-(2,4,6-trimethyl-phenyl)-ethanol in the presence of triphenylphosphine and diisopropylazodicarboxylate in tetrahydrofuran at ambient temperature Rf value: 0.40 (silica gel, methylene chloride/ethyl acetate=15:1) Mass spectrum (ESI+): m/z=459, 461 [M+H]+ |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 5 steps 1: sulfur trioxide pyridine complex; dimethyl sulfoxide; triethylamine 2: trimethylsilyl bromide / dimethyl sulfoxide; acetonitrile 3: potassium carbonate / dimethyl sulfoxide 4: sodium hydride / N,N-dimethyl-formamide 5: sodium hydride / N,N-dimethyl-formamide | ||
Multi-step reaction with 5 steps 1: sulfur trioxide pyridine complex; dimethyl sulfoxide; triethylamine 2: trimethylsilyl bromide / dimethyl sulfoxide; acetonitrile 3: potassium carbonate / dimethyl sulfoxide 4: potassium carbonate / acetone 5: sodium hydride / N,N-dimethyl-formamide |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 5 steps 1: sulfur trioxide pyridine complex; dimethyl sulfoxide; triethylamine 2: trimethylsilyl bromide / dimethyl sulfoxide; acetonitrile 3: potassium carbonate / dimethyl sulfoxide 4: sodium hydride / N,N-dimethyl-formamide 5: sodium hydride / N,N-dimethyl-formamide | ||
Multi-step reaction with 5 steps 1: sulfur trioxide pyridine complex; dimethyl sulfoxide; triethylamine 2: trimethylsilyl bromide / dimethyl sulfoxide; acetonitrile 3: potassium carbonate / dimethyl sulfoxide 4: potassium carbonate / acetone 5: sodium hydride / N,N-dimethyl-formamide |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 5 steps 1: sulfur trioxide pyridine complex; dimethyl sulfoxide; triethylamine 2: trimethylsilyl bromide / dimethyl sulfoxide; acetonitrile 3: potassium carbonate / dimethyl sulfoxide 4: sodium hydride / N,N-dimethyl-formamide 5: sodium hydride / N,N-dimethyl-formamide | ||
Multi-step reaction with 5 steps 1: sulfur trioxide pyridine complex; dimethyl sulfoxide; triethylamine 2: trimethylsilyl bromide / dimethyl sulfoxide; acetonitrile 3: potassium carbonate / dimethyl sulfoxide 4: potassium carbonate / acetone 5: sodium hydride / N,N-dimethyl-formamide |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 5 steps 1: sulfur trioxide pyridine complex; dimethyl sulfoxide; triethylamine 2: trimethylsilyl bromide / dimethyl sulfoxide; acetonitrile 3: potassium carbonate / dimethyl sulfoxide 4: N,N-diethylaniline; trichlorophosphate 5: sodium hydride / N,N-dimethyl-formamide |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 6 steps 1: sulfur trioxide pyridine complex; dimethyl sulfoxide; triethylamine 2: trimethylsilyl bromide / dimethyl sulfoxide; acetonitrile 3: potassium carbonate / dimethyl sulfoxide 4: N,N-diethylaniline; trichlorophosphate 5: sodium hydride / N,N-dimethyl-formamide 6: sodium hydroxide / water |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 4 steps 1: sulfur trioxide pyridine complex; dimethyl sulfoxide; triethylamine 2: trimethylsilyl bromide / dimethyl sulfoxide; acetonitrile 3: potassium carbonate / dimethyl sulfoxide 4: potassium carbonate / acetone |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 5 steps 1: sulfur trioxide pyridine complex; dimethyl sulfoxide; triethylamine 2: trimethylsilyl bromide / dimethyl sulfoxide; acetonitrile 3: potassium carbonate / dimethyl sulfoxide 4: potassium carbonate / acetone 5: sodium hydride / N,N-dimethyl-formamide |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 4 steps 1: sulfur trioxide pyridine complex; dimethyl sulfoxide; triethylamine 2: trimethylsilyl bromide / dimethyl sulfoxide; acetonitrile 3: potassium carbonate / dimethyl sulfoxide 4: N,N-diethylaniline; trichlorophosphate |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 4 steps 1: sulfur trioxide pyridine complex; dimethyl sulfoxide; triethylamine 2: trimethylsilyl bromide / dimethyl sulfoxide; acetonitrile 3: potassium carbonate / dimethyl sulfoxide 4: sodium hydride / N,N-dimethyl-formamide | ||
Multi-step reaction with 4 steps 1: sulfur trioxide pyridine complex; dimethyl sulfoxide; triethylamine 2: trimethylsilyl bromide / dimethyl sulfoxide; acetonitrile 3: potassium carbonate / dimethyl sulfoxide 4: potassium carbonate / acetone |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 5 steps 1: sulfur trioxide pyridine complex; dimethyl sulfoxide; triethylamine 2: trimethylsilyl bromide / dimethyl sulfoxide; acetonitrile 3: potassium carbonate / dimethyl sulfoxide 4: sodium hydride / N,N-dimethyl-formamide 5: sodium hydride / N,N-dimethyl-formamide | ||
Multi-step reaction with 5 steps 1: sulfur trioxide pyridine complex; dimethyl sulfoxide; triethylamine 2: trimethylsilyl bromide / dimethyl sulfoxide; acetonitrile 3: potassium carbonate / dimethyl sulfoxide 4: potassium carbonate / acetone 5: sodium hydride / N,N-dimethyl-formamide |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 5 steps 1: sulfur trioxide pyridine complex; dimethyl sulfoxide; triethylamine 2: trimethylsilyl bromide / dimethyl sulfoxide; acetonitrile 3: potassium carbonate / dimethyl sulfoxide 4: sodium hydride / N,N-dimethyl-formamide 5: sodium hydride / N,N-dimethyl-formamide | ||
Multi-step reaction with 5 steps 1: sulfur trioxide pyridine complex; dimethyl sulfoxide; triethylamine 2: trimethylsilyl bromide / dimethyl sulfoxide; acetonitrile 3: potassium carbonate / dimethyl sulfoxide 4: potassium carbonate / acetone 5: sodium hydride / N,N-dimethyl-formamide |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
88% | With dmap; dicyclohexyl-carbodiimide In dichloromethane at 20℃; for 5h; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
120 mg | Stage #1: 1-ethyl-4-phenyl-1,2,5,6-tetrahydropyridine-3-carboxylic acid; 2-(2,4,6-trimethylphenyl)ethanol With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane at 20℃; Inert atmosphere; Stage #2: With hydrogenchloride In diethyl ether; water Inert atmosphere; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
49% | With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane at 20℃; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With lithium aluminium tetrahydride In tetrahydrofuran at 0 - 20℃; for 4.5h; Inert atmosphere; | 57.2.2 General procedure: 5.1.57.2. Step 2. To a suspension of LiAlH4 (14.56 g, 307 mmol) inTHF (150 mL) was added a solution of (3-fluorophenyl)acetate(25.80 g, 153 mmol) at 0 C for 30 min under N2 atmosphere. Thismixture was stirred at 0 C for 1 h and at rt 3 h, and then, the reactionwas quenched by the addition of saturated Rochel’s salt untilparticipating. This precipitate was collected off, and washed withTHF (500 mL). The filtrate was concentrated under reduced pressure.The residue was purified by column chromatography (SiO2,n-hexane/EtOAc = 5/1-3/1) to obtain 2-(3-fluorophenyl)ethanol(19.74 g, 92%) as colorless oil. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With pyridine at 0 - 20℃; for 4h; | 57.3.3 General procedure: 5.1.57.3. Step 3. To a solution of 2-(3-fluorophenyl)ethanol(25.26 g, 180 mmol) in pyridine (180 mL) was added TsCl(36.49 g, 186 mmol) at 0 C with silica gel blue tube. After stirringat rt for 4 h, the reaction was quenched by the addition of 2 N HCl (750 mL) at 0 C. This mixture was extracted with EtOAc (300 mL).The separable organic layer was washed with 2 N HCl (250 mL),H2O (200 mL), brine (100 mL), and dried over MgSO4, filtered, concentratedunder reduced pressure. The residue was purified by columnchromatography (SiO2, n-hexane/EtOAc = 10/1-5/1) to obtain2-(3-fluorophenyl)ethyl 4-methylbenzenesulfonate (38.54 g, 73%)as a colorless oil. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 2 steps 1: phosphorus tribromide / tetrachloromethane / 1 h / 60 °C 2: triethylamine / toluene / 24 h / Reflux |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 2 steps 1: phosphorus tribromide / tetrachloromethane / 1 h / 60 °C 2: triethylamine / toluene / 24 h / Reflux |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 2 steps 1: phosphorus tribromide / tetrachloromethane / 1 h / 60 °C 2: triethylamine / toluene / 48 h / Reflux |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With dmap; dicyclohexyl-carbodiimide In dichloromethane at 0 - 20℃; Inert atmosphere; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
64% | Stage #1: 2-(2,4,6-trimethylphenyl)ethanol With potassium fluoride; tetra-(n-butyl)ammonium iodide; N-ethyl-N,N-diisopropylamine; N,N`-sulfuryldiimidazole In N,N-dimethyl-formamide; trifluoroacetic acid at 20℃; Inert atmosphere; Stage #2: With triethyl borane; tris-(trimethylsilyl)silane In tetrahydrofuran; N,N-dimethyl-formamide; trifluoroacetic acid at 20℃; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
51% | With cerium(III) chloride; 9,10-diphenylanthracene; C12H20N2NiO4(2+)*2Cl(1-); C16H23O2(1-)*K(1+); sodium phosphate In dimethyl sulfoxide; acetonitrile at 20℃; for 36h; Glovebox; Sealed tube; Irradiation; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
46% | With potassium fluoride; fluorosulfonyl fluoride; 18-crown-6 ether; 1,8-diazabicyclo[5.4.0]undec-7-ene In tetrahydrofuran at 23℃; for 1h; Inert atmosphere; | General procedure C: General procedure: A 20 mL vial A and a 30 mL vial B were equipped with magnetic stir-bars, were capped with septum-fitted vial caps and connected by a polyethylene tube. Under nitrogen, Vial A was charged with SDI (5.53 mmol, 9.22 equiv) and anhydrous KF (14.7 mmol, 24.5equiv). To vial B was added THF (12 mL). A 3 mL syringe filled with excess of TFA (3.0 mL, 39.2 mmol) was added into the vial A at a rate of 9 mL/hr by a syringe pump. The tube in vial B was immersed into the solution after the first bubbles of SO2F2 appeared. Once bubbling of SO2F2 subsided, into vial B was inserted an empty balloon to increase the bubbling rate. When the bubbling had almost stopped, 6M NaOH (3.0mL) was slowly added into vial A. After completing generation of SO2F2, the tube was removed. Without opening the vial B, trifluorotoluene (1equiv) was added by a syringe into vial B as an internal standard. Without opening the vial B, an aliquot was taken by a syringe for quantitative 19F NMR analysis to confirm no TFA contaminant and quantify the amount of SO2F2 (Note: the chemical shift of the twoequivalent fluorines of SO2F2 appear at 33.8 ppm. Typically, about 1.5 to2.5 equivalents of SO2F2 were calculated to be in THF prior to additionof the other reagents). KF (4 equiv) and 18-crown-6 (4 equiv) were added into vial B. A reaction mixture of 3-Phenyl-1-propanol 1a (0.6mmol, 1 equiv), THF (4.0 mL), and DBU (1.8 mmol, 3 equiv) were added into vial B at 4 mL/hr by a syringe pump. An aliquot was taken for quantitative 19F NMR analysis after stirring for one hour (note: theamount of the aliquot is less than 0.1 mL which is less than 1% of the reaction solution). Caution: Reaction vials can become pressurized during the generation of SO2F2. Note: Picture of the assembly is availablein the SI |
[ 22436-06-2 ]
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