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CAS No. : | 24767-82-6 | MDL No. : | MFCD00059442 |
Formula : | C14H22O3S | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | BQPVBPLMUCJNOX-UHFFFAOYSA-N |
M.W : | 270.39 | Pubchem ID : | 599295 |
Synonyms : |
|
Num. heavy atoms : | 18 |
Num. arom. heavy atoms : | 6 |
Fraction Csp3 : | 0.57 |
Num. rotatable bonds : | 8 |
Num. H-bond acceptors : | 3.0 |
Num. H-bond donors : | 0.0 |
Molar Refractivity : | 74.43 |
TPSA : | 51.75 Ų |
GI absorption : | High |
BBB permeant : | Yes |
P-gp substrate : | No |
CYP1A2 inhibitor : | Yes |
CYP2C19 inhibitor : | Yes |
CYP2C9 inhibitor : | Yes |
CYP2D6 inhibitor : | No |
CYP3A4 inhibitor : | No |
Log Kp (skin permeation) : | -4.88 cm/s |
Log Po/w (iLOGP) : | 3.4 |
Log Po/w (XLOGP3) : | 4.32 |
Log Po/w (WLOGP) : | 4.75 |
Log Po/w (MLOGP) : | 3.51 |
Log Po/w (SILICOS-IT) : | 3.37 |
Consensus Log Po/w : | 3.87 |
Lipinski : | 0.0 |
Ghose : | None |
Veber : | 0.0 |
Egan : | 0.0 |
Muegge : | 0.0 |
Bioavailability Score : | 0.55 |
Log S (ESOL) : | -3.96 |
Solubility : | 0.0299 mg/ml ; 0.00011 mol/l |
Class : | Soluble |
Log S (Ali) : | -5.12 |
Solubility : | 0.00205 mg/ml ; 0.00000757 mol/l |
Class : | Moderately soluble |
Log S (SILICOS-IT) : | -5.27 |
Solubility : | 0.00147 mg/ml ; 0.00000542 mol/l |
Class : | Moderately soluble |
PAINS : | 0.0 alert |
Brenk : | 1.0 alert |
Leadlikeness : | 2.0 |
Synthetic accessibility : | 2.89 |
Signal Word: | Warning | Class: | |
Precautionary Statements: | P210-P264-P270-P280-P301+P312-P330-P370+P378-P403+P235-P501 | UN#: | |
Hazard Statements: | H302-H227 | Packing Group: | |
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 potassium fluoride; ethylene glycol | ||
With potassium fluoride; diethylene glycol |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multistep reaction; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
90% | With potassium carbonate; 1-hexadecyl-1H-imidazole In water at 25℃; for 4h; | |
89% | With dmap; triethylamine In dichloromethane at 0 - 20℃; for 5h; | |
88% | With pyridine at 0℃; for 3h; |
86% | With dmap; triethylamine In dichloromethane at 20℃; | |
85.2% | With pyridine for 4h; <0 deg C; | |
76.4% | With pyridine at 0 - 5℃; for 16h; | |
73% | Stage #1: n-heptan1ol With potassium hydroxide In dichloromethane at 0℃; for 0.5h; Stage #2: p-toluenesulfonyl chloride In dichloromethane at 0 - 20℃; for 6h; | |
72% | With pyridine In dichloromethane at 0 - 20℃; for 45h; Inert atmosphere; | |
With pyridine | ||
With pyridine at 0℃; for 24h; Yield given; | ||
With pyridine at 0℃; | ||
With pyridine at 10 - 20℃; for 3h; | 4.2.1. General procedure for preparation of alkyl 4-methylbenzenesulphonates General procedure: 4-Methylbenzenesulphonyl chloride (55 mmol) was added slowly to a mixture of a primary alcohol (50 mmol) and 20 ml of pyridine at 10 °C. The reaction mixture was stirred for 3 h at 20 °C. After that 120 ml of 25 % hydrochloric acid was slowly added. The reaction mixture was then extracted with chloroform, organic layer dried with Na2SO4 and evaporated to yield alkyl 4-methylbenzenesulphonate as colourless oily liquid or white solid, which was used without further purification. Ethyl 4-methylbenzenesulphonate was purchased from Fluka. | |
With sodium hydroxide In tetrahydrofuran at 0 - 40℃; for 4h; | 1.1.1 Example 1: 1. Put heptanol (141mL, 1.0mol),P-toluenesulfonyl chloride (210g, 1.5mol),Tetrahydrofuran (850ml) is mixed in a 2 liter reaction flask,Cool down to 0 in ice water bath,Slowly add NaOH (168g, 3.0mol) under mechanical stirring,Move the reaction flask to an oil bath at 40°C,Continue to stir for about 4 hours and stop the reaction.Distill the tetrahydrofuran in the system from the system,Then a milky white (with very light yellow) solid was obtained. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With sodium hydroxide 1.) water, reflux, 7 h; 2.) toluene, reflux; Multistep reaction; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With 18-crown-6 ether; potassium <i>tert</i>-butylate In <i>tert</i>-butyl alcohol at 25.4℃; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
80% | With sodium azide In N,N-dimethyl-formamide at 80℃; for 12h; | |
With sodium azide In N,N-dimethyl-formamide at 80℃; for 5h; Inert atmosphere; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
76% | In acetonitrile at 50℃; for 24h; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
In acetonitrile at 50℃; for 24h; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With CuBr*Me2S-LiBr; lithium thiophenoxide; magnesium 1) THF, reflux; 2) THF, HMPA, rt, 24 h; further reagents and conditions; Yield given. Multistep reaction; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With CuBr*Me2S-LiBr; lithium thiophenoxide; magnesium 1) THF, reflux, 2 h; 2) THF, HMPA, 67 deg C, 24 h; further reagents; Yield given. Multistep reaction; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With CuBr*Me2S-LiBr; lithium thiophenoxide; magnesium 1) THF, reflux, 3-4 h; 2) THF, HMPA, rt, 24 h; further reagents and conditions; Yield given. Multistep reaction; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
50% | With CuBr*Me2S-LiBr; lithium thiophenoxide In tetrahydrofuran; N,N,N,N,N,N-hexamethylphosphoric triamide at 67℃; for 24h; further reagents; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
85% | With oxygen In hexane for 1h; Heating; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Rk. m. Eg. sowie m. Eg. u. Natriumacetat; | ||
Rk. mit 4-(3,5-Dimethoxyphenyl)but-1-in(11), Li-Salz -> (12); | ||
fuer d. Ionisierung; |
Rk. mit HMPT*HCl -> n-Heptylchlorid u. HMPT-toluolsulfonsaeure; | ||
Rk. mit LiCl/HMPT -> n-Heptylchlorid u. HMPT-toluolsulfonsaeure; | ||
Acetolyse: Geschw.-konst. k(t); ΔH(excit.), ΔS(excit.), ΔE(excit.); | ||
Rk. mit (CH3)3COK (Kinetik): Geschw.-Konst.; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
In acetic acid at 65 - 100℃; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
p-TsCl, Heptanol in Ae./KOH; | ||
Toluol-sulfonylchlorid-(4), Natriumheptylat; | ||
Tosylchlorid, n-Heptanol/HMPT; |
Hepten-1-ol, p-Tolylsulfonylchlorid; | ||
Examples of the sulfonic acid ester of the formula (V') include the following: ... isopropyl p-toluenesulfonate, butyl p-toluenesulfonate, pentyl p-toluenesulfonate, hexyl p-toluenesulfonate, heptyl p-toluenesulfonate, octyl p-toluenesulfonate, nonyl p-toluenesulfonate, and decyl p-toluenesulfonate; ... |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
at 180℃; for 5h; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
at 180℃; for 5h; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
at 85℃; for 5h; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
In tetrahydrofuran at 25℃; reaction of cesium enolate of 2-p-biphenylylcyclohexanone with alkyl halides and sulfonates; relative reactivity of alkylating agents; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
48% | Stage #1: 1-heptyl 4-methylbenzenesulfonate With manganese In tetrahydrofuran at 20℃; for 0.5h; Stage #2: benzoyl chloride In tetrahydrofuran; ethylene dibromide at 20℃; for 0.5h; | |
48% | Stage #1: 1-heptyl 4-methylbenzenesulfonate With manganese In tetrahydrofuran at 20℃; for 0.333333h; Stage #2: benzoyl chloride In tetrahydrofuran at 20℃; for 0.5h; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
64% | Stage #1: 1-heptyl 4-methylbenzenesulfonate With manganese In tetrahydrofuran at 20℃; for 0.5h; Stage #2: benzaldehyde In tetrahydrofuran; ethylene dibromide at 20℃; for 0.5h; | |
64% | Stage #1: 1-heptyl 4-methylbenzenesulfonate With manganese In tetrahydrofuran at 20℃; for 0.333333h; Stage #2: benzaldehyde In tetrahydrofuran at 20℃; for 0.5h; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
90% | With cerium(III) chloride; sodium iodide In acetonitrile for 4h; Heating; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
71 % Chromat. | With buta-1,3-diene In tetrahydrofuran at 20℃; for 3h; | |
With buta-1,3-diene; cobalt(II) chloride; lithium iodide In tetrahydrofuran at -78 - 50℃; for 5h; Inert atmosphere; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
1: 85 % Chromat. 2: 3 % Chromat. | With buta-1,3-diene In tetrahydrofuran at 25℃; for 3h; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
96 % Chromat. | With buta-1,3-diene In tetrahydrofuran at 20℃; for 3h; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
78 % Chromat. | With vinylmagnesium chloride In tetrahydrofuran at 25℃; for 3h; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
80% | With triethylamine In toluene for 10h; Heating; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
83 % Chromat. | With 1-methyl-pyrrolidin-2-one; magnesium bromide; nickel dichloride In tetrahydrofuran; hexane at 25℃; for 1h; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
90 % Chromat. | With zinc(II) chloride In tetrahydrofuran; 1-methyl-pyrrolidin-2-one at 20℃; for 24h; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
74 % Chromat. | With 1-Phenylprop-1-yne; copper dichloride In tetrahydrofuran at 25℃; for 0.25h; | |
With buta-1,3-diene; nickel dibromide In tetrahydrofuran at 1℃; for 0.0416667h; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 2 steps 1: 5percent aq. NaOH / 1.) water, reflux, 7 h; 2.) toluene, reflux 2: pyridine |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 2 steps 1: 5percent aq. NaOH / 1.) water, reflux, 7 h; 2.) toluene, reflux 2: pyridine |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 2 steps 1: 5percent aq. NaOH / 1.) water, reflux, 7 h; 2.) toluene, reflux 2: pyridine |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 2 steps 1: 5percent aq. NaOH / 1.) water, reflux, 7 h; 2.) toluene, reflux 2: pyridine |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 2 steps 1: 5percent aq. NaOH / 1.) water, reflux, 7 h; 2.) toluene, reflux 2: pyridine |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 2 steps 1: 5percent aq. NaOH / 1.) water, reflux, 7 h; 2.) toluene, reflux 2: pyridine |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 2 steps 1: 5percent aq. NaOH / 1.) water, reflux, 7 h; 2.) toluene, reflux 2: pyridine |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 2 steps 1: 80 percent / sodium azide / dimethylformamide / 12 h / 80 °C 2: NaOEt / ethanol / 3 h / Heating |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 5 steps 1: 80 percent / sodium azide / dimethylformamide / 12 h / 80 °C 2: NaOEt / ethanol / 3 h / Heating 3: 1 h / Heating 4: POCl3, N,N-diethylaniline / 1.5 h / 95 °C 5: 35percent aq. NH4OH / ethanol / 1.5 h / 80 °C |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 4 steps 1: 80 percent / sodium azide / dimethylformamide / 12 h / 80 °C 2: NaOEt / ethanol / 3 h / Heating 3: 1 h / Heating 4: POCl3, N,N-diethylaniline / 1.5 h / 95 °C |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 3 steps 1: 80 percent / sodium azide / dimethylformamide / 12 h / 80 °C 2: NaOEt / ethanol / 3 h / Heating 3: 1 h / Heating |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 5 steps 1: 80 percent / sodium azide / dimethylformamide / 12 h / 80 °C 2: NaOEt / ethanol / 3 h / Heating 3: 70 percent / sodium ethoxide / 5 h / Heating 4: POCl3, N,N-diethylaniline / 1 h / 95 °C 5: 35percent aq. NH4OH / ethanol / 1 h / 80 °C |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 3 steps 1: 80 percent / sodium azide / dimethylformamide / 12 h / 80 °C 2: NaOEt / ethanol / 3 h / Heating 3: 70 percent / sodium ethoxide / 5 h / Heating |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 4 steps 1: 80 percent / sodium azide / dimethylformamide / 12 h / 80 °C 2: NaOEt / ethanol / 3 h / Heating 3: 70 percent / sodium ethoxide / 5 h / Heating 4: POCl3, N,N-diethylaniline / 1 h / 95 °C |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
In 2-methoxy-ethanol; water; sodium carbonate | 4 EXAMPLE 4 STR13 EXAMPLE 4 STR13 3-Propionylaminoaniline (16.4 parts) was reacted with n-heptyl p-toluenesulfonate (64.8 parts) at 100° C. for 5 hours in a solvent comprising methyl cellosolve (100 parts) and water (100 parts) in the presence of anhydrous sodium carbonate (12.7 parts) to obtain 3-propionylamino-N,N-di-n-heptylaniline (coupling component). |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
In 2-methoxy-ethanol; sodium carbonate | 7 EXAMPLE 7 STR16 EXAMPLE 7 STR16 3-Propionylaminoaniline (16.4 parts) was reacted with n-heptyl p-toluenesulfonate (27 parts) at 100° C. for 4 hours in methyl cellosolve (200 parts) in the presence of anhydrous sodium carbonate (5.3 parts) to obtain 3-propionylamino-N-heptylaniline. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
In tetrahydrofuran (Ar); addn. of Et(CH2)4CH2OTs in THF via cannula to stirred at room temp. slurry of highly active Mn in THF; stirring at room temp. for 20 min; monitoring by gas chromy.; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
94% | With carbon disulfide; caesium carbonate In dimethyl sulfoxide at 20 - 25℃; for 3h; Inert atmosphere; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
53% | With tetrabutylammonium nitrite In toluene at 20℃; for 2.5h; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
48% | With nickel(II) iodide; 4,5-dihydro-2-(pyridin-2-yl)-1H-imidazole; lithium methanolate; bis(pinacol)diborane In 1-methyl-pyrrolidin-2-one at 40℃; for 16h; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 2 steps 1.1: sodium azide / N,N-dimethyl-formamide / 5 h / 80 °C / Inert atmosphere 2.1: triphenylphosphine / tetrahydrofuran / 22 h / 0 - 20 °C / Inert atmosphere 2.2: 2 h / 20 °C / Inert atmosphere |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 3 steps 1.1: sodium azide / N,N-dimethyl-formamide / 5 h / 80 °C / Inert atmosphere 2.1: triphenylphosphine / tetrahydrofuran / 22 h / 0 - 20 °C / Inert atmosphere 2.2: 2 h / 20 °C / Inert atmosphere 3.1: O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; N-ethyl-N,N-diisopropylamine; dmap / dichloromethane / 15 h / 0 - 20 °C / Inert atmosphere |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
160 mg | With n-butyllithium; potassium carbonate In acetonitrile Reflux; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
In acetonitrile for 4h; Reflux; | 4.2.2. General procedure for preparation of choline salts General procedure: A solution of alkyl 4-methylbenzenesulphonate (40 mmol) in acetonitrile (20 ml) was added to a solution of 2-(N,N-dimethylamino)ethanol (40 mmol) in acetonitrile (20 ml). The reaction mixture was refluxed for 4 h. The solvent was evaporated in vacuum and the crude solid was left for crystallisation from acetone yielding a white, hygroscopic solid as the product. The product was kept in vacuum desiccator over P4O10. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
80% | With pyridine; manganese; trifluoroacetic acid; sodium iodide; cobalt(II) bromide In acetonitrile at 50℃; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 2 steps 1.1: caesium carbonate / N,N-dimethyl-formamide / 20 °C / Schlenk technique; Inert atmosphere 2.1: lithium hydroxide / water; methanol / Reflux 2.2: 3 h / 20 °C |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
84% | With caesium carbonate In N,N-dimethyl-formamide at 20℃; Schlenk technique; Inert atmosphere; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
91% | With tetrabutylammomium bromide; sodium hydroxide at 100℃; for 8h; | 7 Taking paratoluene sulfonic acid heptyl esters 2.70 g (0.01 µM), at room temperature by adding 0.38 g (0.0036 µM)-toluidine, adding 0.05 g ammonium bromide [...] transfer catalyst, heating up to 100 °C dropwise 25% sodium hydroxide solution of 1.6 g (0.01 µM), maintaining the temperature reaction 8 h after, to room temperature, extracted with ethyl acetate, dried and filtered, rotary evaporation, can be dark purple viscous liquid, by silica gel column to obtain a pale yellow liquid 0.99 g, N, N - between the two heptyl-toluidine yield is 91%. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
29% | With potassium carbonate In N,N-dimethyl-formamide at 70℃; for 16h; Schlenk technique; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 2 steps 1: potassium carbonate / N,N-dimethyl-formamide / 16 h / 70 °C / Schlenk technique 2: boron trichloride / dichloromethane; tetrahydrofuran / 2.08 h / 0 - 20 °C / Schlenk technique |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
68% | With sodium dithionite; tetrabutylammomium bromide; N-ethyl-N,N-diisopropylamine; zinc(II) chloride In water; N,N-dimethyl-formamide; acetonitrile at 120℃; for 15h; Inert atmosphere; Schlenk technique; | |
68% | With sodium dithionite; tetrabutylammomium bromide; N-ethyl-N,N-diisopropylamine; zinc(II) chloride In N,N-dimethyl acetamide; water; acetonitrile at 120℃; for 15h; Inert atmosphere; | 37 Synthesis of compound 3ak: Add redox ester derived from adamantane formic acid (65.0 mg, 0.2 mmol) to the reaction tube,Sodium dithionite (69.6mg, 0.4mmol), n-heptyl p-toluenesulfonate (162.2mg, 0.6mmol), N,N’-diisopropylethylamine (51.7mg, 0.4mmol),Zinc chloride (13.6mg, 0.1mmol), tetrabutylammonium bromide (96.7mg, 0.3mmol),Water (60μL), DMF/CH3CN (2:1, 2mL), react at 120 for 15h under nitrogen protection,Point the board to monitor until the redox ester is consumed completely, move to room temperature, add water to quench,Extract with ethyl acetate and collect the organic phase. The organic phase is dried with anhydrous sodium sulfate,The solvent was removed under reduced pressure, and the product 3ak (40.6 mg) was obtained by column chromatography with a yield of 68%. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
90% | With potassium carbonate In water at 100℃; for 18h; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
60% | With potassium carbonate In water at 100℃; for 18h; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
67% | at 100℃; for 12h; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
66% | With potassium carbonate In water at 100℃; for 18h; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
95% | With tetra-(n-butyl)ammonium iodide at 100℃; for 0.5h; | 1.1.2-1.1.5 2. Add ethylene glycol (1.5L) directly to the above milky white solid,Phase transfer catalyst tetrabutylammonium iodide (74g, 0.2mol),Then move the reaction flask to a 100°C oil bath and continue to react for 30 minutes.Then the reaction solution was quickly mixed with 2.0 kg of crushed ice,After the crushed ice melts, add an appropriate amount of concentrated hydrochloric acid to the mixture to reach a pH of 7.Separate the organic phase. 3. Extract the aqueous phase twice with 500 mL ethyl acetate, combine the organic phases, wash the organic phase with 500 mL each of water and saturated brine, dry the organic phase over anhydrous sodium sulfate for half an hour, filter out the desiccant, and concentrate under reduced pressure to obtain a crude product. 4. After the crude product is distilled under reduced pressure, 2-heptyloxy-1-ethanol (152 g, yield 95%, purity 99.5%) is obtained. 5. Ethylene glycol recovery: the water phase is first heated and dehydrated under reduced pressure, filtered to remove solid salts, and then distilled under reduced pressure to obtain ethylene glycol. The recovered ethylene glycol can be directly used in the above-mentioned second step reaction. |
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