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[ CAS No. 629-25-4 ] {[proInfo.proName]}

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Chemical Structure| 629-25-4
Chemical Structure| 629-25-4
Structure of 629-25-4 * Storage: {[proInfo.prStorage]}
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Product Details of [ 629-25-4 ]

CAS No. :629-25-4 MDL No. :MFCD00041754
Formula : C12H23NaO2 Boiling Point : -
Linear Structure Formula :- InChI Key :BTURAGWYSMTVOW-UHFFFAOYSA-M
M.W : 222.30 Pubchem ID :2735067
Synonyms :
Chemical Name :Sodium dodecanoate

Calculated chemistry of [ 629-25-4 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 15
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.92
Num. rotatable bonds : 10
Num. H-bond acceptors : 2.0
Num. H-bond donors : 0.0
Molar Refractivity : 59.63
TPSA : 40.13 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : Yes
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -4.67 cm/s

Lipophilicity

Log Po/w (iLOGP) : -10.82
Log Po/w (XLOGP3) : 4.2
Log Po/w (WLOGP) : 2.66
Log Po/w (MLOGP) : 3.15
Log Po/w (SILICOS-IT) : 3.5
Consensus Log Po/w : 0.54

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 0.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -3.2
Solubility : 0.139 mg/ml ; 0.000625 mol/l
Class : Soluble
Log S (Ali) : -4.75
Solubility : 0.00393 mg/ml ; 0.0000177 mol/l
Class : Moderately soluble
Log S (SILICOS-IT) : -3.69
Solubility : 0.045 mg/ml ; 0.000202 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 3.0
Synthetic accessibility : 1.99

Safety of [ 629-25-4 ]

Signal Word:Danger Class:8
Precautionary Statements:P280-P305+P351+P338+P310 UN#:1759
Hazard Statements:H315-H318-H335 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 629-25-4 ]

* 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.

  • Downstream synthetic route of [ 629-25-4 ]

[ 629-25-4 ] Synthesis Path-Downstream   1~94

  • 1
  • [ 112-16-3 ]
  • [ 629-25-4 ]
  • [ 645-66-9 ]
  • 2
  • [ 4430-23-3 ]
  • [ 629-25-4 ]
  • 2-lauroyloxymethyl-benzenesulfonic acid [ No CAS ]
  • 3
  • [ 764-41-0 ]
  • [ 629-25-4 ]
  • 1,4-bis-lauroyloxy-but-2-ene [ No CAS ]
  • 4
  • [ 79-37-8 ]
  • [ 629-25-4 ]
  • [ 645-66-9 ]
  • 5
  • [ 1938-32-5 ]
  • [ 629-25-4 ]
  • [ 54531-01-0 ]
  • 6
  • [ 17450-63-4 ]
  • [ 629-25-4 ]
  • lauric acid-(5,6,7,8-tetrahydro-[2]naphthylmethyl ester) [ No CAS ]
  • 7
  • [ 629-25-4 ]
  • [ 112-54-9 ]
  • 8
  • [ 629-25-4 ]
  • lauric acid ; aluminium-hydroxide-dil aurate [ No CAS ]
  • 10
  • [ 629-25-4 ]
  • [ 107-06-2 ]
  • [ 64919-15-9 ]
  • 11
  • [ 629-25-4 ]
  • [ 96-24-2 ]
  • [ 40738-26-9 ]
  • 12
  • [ 111-82-0 ]
  • [ 629-25-4 ]
  • [ 86-52-2 ]
  • [ 71844-12-7 ]
  • 13
  • [ 629-25-4 ]
  • [ 86-52-2 ]
  • [ 71844-12-7 ]
  • 14
  • [ 111-82-0 ]
  • [ 629-25-4 ]
  • [ 824-55-5 ]
  • [ 102456-10-0 ]
  • 15
  • [ 106-18-3 ]
  • [ 629-25-4 ]
  • [ 824-55-5 ]
  • [ 102456-10-0 ]
  • 17
  • [ 629-25-4 ]
  • [ 106-89-8 ]
  • [ 1984-77-6 ]
  • 18
  • [ 74-85-1 ]
  • [ 629-25-4 ]
  • [ 14276-81-4 ]
  • 19
  • [ 39074-38-9 ]
  • [ 629-25-4 ]
  • [ 50888-13-6 ]
  • 21
  • [ 143-07-7 ]
  • [ 629-25-4 ]
YieldReaction ConditionsOperation in experiment
91% With sodium hydroxide; In water; at 60 - 80℃; General procedure: 0.0375M of NaOH was added to a suspension of 0.02 M of palmitic or lauric acid in 100 cm3 of water at 60C, heated to 80C, the resultant solution was cooled to 10C, filtered off and dried. Yield of sodium salts of carboxylates is 91%. A solution of 0.02M of sodium salt of palmitic (lauric) acid in 350 cm3 of 7-% ethyl alcohol was heated to 80C and 0.02M AgNO3 solution in 100 cm3 of water was added. After stirring for 1 hour, the precipitate of silver carboxylate was filtered off. Identified % Calculated % Silver laurateC - 46.93; 46.88 C - 46.92H - 7.83; 7.87 H - 7.55 Silver palmitateC - 52.87; 52.46 C - 52.85H - 8.55; 8.68 H - 8.53 Further studies were carried out to obtain colloidal solutions of silver nanoparticles from such salts.
54.4% With sodium hydrogencarbonate; In ethanol; at 77℃; Lauric acid (50.08g, 1.0 eq.) was dissolved in ethanol (500mL, lOvol., 95%denatured) at room temperature and reacted with NaHCO3 (18.9g, 0.9 eq.) in ethanol(500mL, lOvol., 95% denatured) at refluxing temperature. The reaction mixture (suspension) was stirred at refluxing temperature (-77C) overnight. Some solids precipitated overnight (vs. solution reported in literature) and the mixture was diluted with additional ethanol (-1 .5L). The solution was decanted and cooled to room temperatureover four hours (solid product precipitated at -55C). The slurry was filtered and the product was washed with MTBE (3x200mL) to remove excess free un-reacted lauric acid. The white wet cake was dried in the air over the weekend and in a vacuum oven at 50±5C overnight to afford 27.2g (54.4% yield) of white solid. While the yield was lower than in the prior art literature, the procedure could be optimized for better yield. Some methodsfor improving yield include, but are not limited to, optimizing the concentration during the crystallization process or using an antisolvent to decrease the solubility of the product and improve the yield.
With sodium hydroxide; In methanol; at 60℃; for 0.00277778h;Industrial scale; Preparing a solution of lauric acid in a container, The concentration is 0.5mol/L, the flow rate of the metering pump is set to 20ml/min; in another container, the methanol solution of sodium hydroxide is prepared at a concentration of 0.2mol/L. Design the metering pump flow rate of 50ml / min, then through the metering pump; start two metering pumps, into the microchannel reactor or pipeline reactor, at 60 C, The reaction was carried out for 10 seconds and then passed through a cooling pipe at 20 C. Cool, filter the product, dry, product purity 99.9%, particle size D50 at 0.65 mum. Alternatively, after the above reaction, spray drying was carried out without cooling, and the obtained product had a purity of 99.1% and a particle diameter D50 of 93 nm.
  • 22
  • [ 629-25-4 ]
  • [ 114044-23-4 ]
  • [ 114044-48-3 ]
  • 24
  • [ 629-25-4 ]
  • [ 114-07-8 ]
  • 6-(4-dimethylamino-3-hydroxy-6-methyl-tetrahydro-pyran-2-yloxy)-14-ethyl-7,12,13-trihydroxy-4-(5-hydroxy-4-methoxy-4,6-dimethyl-tetrahydro-pyran-2-yloxy)-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione; compound with dodecanoic acid [ No CAS ]
  • 25
  • [ 629-25-4 ]
  • sodium p-benzoylbenzoate [ No CAS ]
  • C26H32O5(2-)*2Na(1+) [ No CAS ]
  • C26H32O5(2-)*2Na(1+) [ No CAS ]
  • C26H32O5(2-)*2Na(1+) [ No CAS ]
  • C26H32O5(2-)*2Na(1+) [ No CAS ]
  • 26
  • [ 629-25-4 ]
  • sodium p-benzoylbenzoate [ No CAS ]
  • C26H32O5(2-)*2Na(1+) [ No CAS ]
  • C26H32O5(2-)*2Na(1+) [ No CAS ]
  • C26H32O5(2-)*2Na(1+) [ No CAS ]
  • C26H32O5(2-)*2Na(1+) [ No CAS ]
  • 27
  • [ 629-25-4 ]
  • sodium p-benzoylbenzoate [ No CAS ]
  • C26H32O5(2-)*2Na(1+) [ No CAS ]
  • C26H32O5(2-)*2Na(1+) [ No CAS ]
  • C26H32O5(2-)*2Na(1+) [ No CAS ]
  • C26H32O5(2-)*2Na(1+) [ No CAS ]
  • 28
  • [ 629-25-4 ]
  • sodium p-benzoylbenzoate [ No CAS ]
  • C26H32O5(2-)*2Na(1+) [ No CAS ]
  • C26H32O5(2-)*2Na(1+) [ No CAS ]
  • C26H32O5(2-)*2Na(1+) [ No CAS ]
  • C26H32O5(2-)*2Na(1+) [ No CAS ]
  • 29
  • [ 629-25-4 ]
  • [ 7732-18-5 ]
  • [ 112-55-0 ]
  • potassium peroxo disulfate [ No CAS ]
  • [ 2757-37-1 ]
  • 30
  • [ 629-25-4 ]
  • [ 7732-18-5 ]
  • [ 112-55-0 ]
  • potassium peroxo disulfate [ No CAS ]
  • [ 292638-84-7 ]
  • [ 627-58-7 ]
  • [ 143-19-1 ]
  • [ 78-79-5 ]
  • 33
  • [ 629-25-4 ]
  • [ 7722-84-1 ]
  • [ 112-12-9 ]
  • 34
  • [ 629-25-4 ]
  • [ 68490-89-1 ]
  • dl-7-Hydroxydodecanoic acid [ No CAS ]
  • 10-hydroxydodecanoic acid [ No CAS ]
  • [ 16899-09-5 ]
  • 35
  • [ 629-25-4 ]
  • [ 3858-78-4 ]
  • [ 6284-08-8 ]
YieldReaction ConditionsOperation in experiment
ethyl 2-(N-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N,N-dimethylammonio)acetate trifluoromethanesulfonate; In water; at 25℃;pH 8.0;Aqueous phosphate buffer;Rate constant; A total volume of 2 mL of 20 mM phosphate buffer solution (pH 8) containing 15 mM of various types of fatty acid sodium salt described in Table 1 below, 20 mM n-butylamine hydrochloride and 1.5 mM of various condensing agents described in Table 1 below was stirred at 25 C for an optional time. After the reaction was terminated, the product was determined by gas chromatography (GC) in the same manner as in Example 4. The ratio of relative rate in stoichiometric reaction of each product is shown in Table 1. It should be noted that only in the case of sodium stearate, the concentration of n-butylamine hydrochloride was 5 mM. In the case where the alkyl chain of the condensing agent is short, the relative rate in the stoichiometric reaction was slow. In the case of carboxylic acid compounds, it is recognized that the longer the length of hydrocarbon chain is, the faster the relative rate is. In particular, the relative rate of the reaction under micelle formation was at least 1000 times faster than that of the monodisperse system (the case of the reaction of ethyl chain-containing condensing agent and sodium butyrate). This indicates that micelle formation increases the reaction rate significantly.
dodecyl 2-(N-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N,N-dimethylammonio)acetate trifluoromethanesulfonate; In water; at 25℃;pH 8.0;Aqueous phosphate buffer;Rate constant; A total volume of 2 mL of 20 mM phosphate buffer solution (pH 8) containing 15 mM of various types of fatty acid sodium salt described in Table 1 below, 20 mM n-butylamine hydrochloride and 1.5 mM of various condensing agents described in Table 1 below was stirred at 25 C for an optional time. After the reaction was terminated, the product was determined by gas chromatography (GC) in the same manner as in Example 4. The ratio of relative rate in stoichiometric reaction of each product is shown in Table 1. It should be noted that only in the case of sodium stearate, the concentration of n-butylamine hydrochloride was 5 mM. In the case where the alkyl chain of the condensing agent is short, the relative rate in the stoichiometric reaction was slow. In the case of carboxylic acid compounds, it is recognized that the longer the length of hydrocarbon chain is, the faster the relative rate is. In particular, the relative rate of the reaction under micelle formation was at least 1000 times faster than that of the monodisperse system (the case of the reaction of ethyl chain-containing condensing agent and sodium butyrate). This indicates that micelle formation increases the reaction rate significantly.
octyl 2-(N-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N,N-dimethylammonio)acetate trifluoromethanesulfonate; In water; at 25℃;pH 8.0;Aqueous phosphate buffer;Rate constant; A total volume of 2 mL of 20 mM phosphate buffer solution (pH 8) containing 15 mM of various types of fatty acid sodium salt described in Table 1 below, 20 mM n-butylamine hydrochloride and 1.5 mM of various condensing agents described in Table 1 below was stirred at 25 C for an optional time. After the reaction was terminated, the product was determined by gas chromatography (GC) in the same manner as in Example 4. The ratio of relative rate in stoichiometric reaction of each product is shown in Table 1. It should be noted that only in the case of sodium stearate, the concentration of n-butylamine hydrochloride was 5 mM. In the case where the alkyl chain of the condensing agent is short, the relative rate in the stoichiometric reaction was slow. In the case of carboxylic acid compounds, it is recognized that the longer the length of hydrocarbon chain is, the faster the relative rate is. In particular, the relative rate of the reaction under micelle formation was at least 1000 times faster than that of the monodisperse system (the case of the reaction of ethyl chain-containing condensing agent and sodium butyrate). This indicates that micelle formation increases the reaction rate significantly.
hexadecyl 2-(N-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N,N-dimethylammonio)acetate trifluoromethanesulfonate; In water; at 25℃;pH 8.0;Aqueous phosphate buffer;Rate constant; A total volume of 2 mL of 20 mM phosphate buffer solution (pH 8) containing 15 mM of various types of fatty acid sodium salt described in Table 1 below, 20 mM n-butylamine hydrochloride and 1.5 mM of various condensing agents described in Table 1 below was stirred at 25 C for an optional time. After the reaction was terminated, the product was determined by gas chromatography (GC) in the same manner as in Example 4. The ratio of relative rate in stoichiometric reaction of each product is shown in Table 1. It should be noted that only in the case of sodium stearate, the concentration of n-butylamine hydrochloride was 5 mM. In the case where the alkyl chain of the condensing agent is short, the relative rate in the stoichiometric reaction was slow. In the case of carboxylic acid compounds, it is recognized that the longer the length of hydrocarbon chain is, the faster the relative rate is. In particular, the relative rate of the reaction under micelle formation was at least 1000 times faster than that of the monodisperse system (the case of the reaction of ethyl chain-containing condensing agent and sodium butyrate). This indicates that micelle formation increases the reaction rate significantly.
C9H17N4O3(1+)*Cl(1-); In water; at 25℃;pH 8.0;Aqueous phosphate buffer;Rate constant; A total volume of 2 mL of 20 mM phosphate buffer solution (pH 8) containing 15 mM of various types of sodium fatty acids described in Table 2 below, 20 mM n-butylamine hydrochloride, 15 mM 2-chloro-4,6-dimethoxy-1,3,5-triazine, and 1.5 mM of tertiary amine described in Table 2 below was stirred at 25 C for an optional time. After the reaction was terminated, the product was determined by gas chromatography in the same manner as in Example 4. The ratio of relative rate in stoichiometric reaction of each product is shown in Table 2.
(4,6-dimethoxy-[1,3,5]triazin-2-yl)-ethoxycarbonylmethyl-dimethyl-ammonium; chloride; In water; at 25℃;pH 8.0;Aqueous phosphate buffer;Rate constant; A total volume of 2 mL of 20 mM phosphate buffer solution (pH 8) containing 15 mM of various types of sodium fatty acids described in Table 2 below, 20 mM n-butylamine hydrochloride, 15 mM 2-chloro-4,6-dimethoxy-1,3,5-triazine, and 1.5 mM of tertiary amine described in Table 2 below was stirred at 25 C for an optional time. After the reaction was terminated, the product was determined by gas chromatography in the same manner as in Example 4. The ratio of relative rate in stoichiometric reaction of each product is shown in Table 2.
C25H47N4O4(1+)*Cl(1-); In water; at 25℃;pH 8.0;Aqueous phosphate buffer;Rate constant; A total volume of 2 mL of 20 mM phosphate buffer solution (pH 8) containing 15 mM of various types of sodium fatty acids described in Table 2 below, 20 mM n-butylamine hydrochloride, 15 mM 2-chloro-4,6-dimethoxy-1,3,5-triazine, and 1.5 mM of tertiary amine described in Table 2 below was stirred at 25 C for an optional time. After the reaction was terminated, the product was determined by gas chromatography in the same manner as in Example 4. The ratio of relative rate in stoichiometric reaction of each product is shown in Table 2.

  • 36
  • [ 821-91-0 ]
  • [ 629-25-4 ]
  • C27H55NO3 [ No CAS ]
YieldReaction ConditionsOperation in experiment
65% With 4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-methylmorpholinium chloride; In methanol; at 20℃; for 5h; <strong>[629-25-4]Sodium laurate</strong> (0.25 g, 1.13 mmol) was placed to a reaction vessel, and methanol (6 mL) was added thereto. The dihydric alcohol 1B that was obtained in [1-2] above (0.29 g, 1.13 mmol) was dissolved in methanol (4 mL) and added. DMT-MM (0.34 g, 1.24 mmol) was dissolved in methanol (2 mL) and added, and then this mixture was stirred at room temperature for five hours. The methanol was evaporated under reduced pressure with a pump, and then the residue was extracted using ethyl acetate and distilled water. The ethyl acetate layer was collected, washed twice with saturated sodium carbonate solution, once with distilled water, twice with 1M HCl, once with distilled water, and then once with saturated saline, then dried over anhydrous magnesium sulfate, and the solvent was removed under reduced pressure. The resultant residue was subjected to column chromatography, developed with hexane:ethyl acetate=1:1 and then eluted and separated by hexane:ethyl acetate=4:6 to give 24 pseudo-ceramide 2B (0.33 g, yield 65%). (0116) colorless crystal; melting point: 35 to 36.5 C. 1H NMR (CDCl3) delta 0.88 (t, J=6.9 Hz, 3H), 1.23-1.35 (m, 34H), 1.56-1.66 (m, 4H), 2.33 (t, J=7.6 Hz, 2H), 3.17-3.36 (m, 2H), 3.38-3.59 (m, 4H), 3.70-3.80 (1H); IR (KBr) 3354, 2919, 2851, 1613 cm-1; elemental analysis for C27H55NO3: calculated: H, 12.55; C, 73.41. found: H, 12.71; C, 73.16. ESI-MS m/z 442 [(M+1)+, C27H55O3N].
  • 37
  • [ 929-31-7 ]
  • [ 629-25-4 ]
  • C23H47NO3 [ No CAS ]
  • 38
  • [ 1097308-87-6 ]
  • [ 629-25-4 ]
  • C30H59NO3 [ No CAS ]
  • 39
  • [ 629-25-4 ]
  • 1-lauroyloxy-2-myristoyloxy-3-octanoyloxy-propane [ No CAS ]
  • 43
  • [ 67-56-1 ]
  • [ 629-25-4 ]
  • [ 822-12-8 ]
  • [ 408-35-5 ]
  • [ 822-16-2 ]
  • [ 13257-34-6 ]
  • [ 1731-86-8 ]
  • [ 124-10-7 ]
  • [ 112-39-0 ]
  • [ 112-61-8 ]
  • [ 1120-28-1 ]
YieldReaction ConditionsOperation in experiment
With acetyl chloride; at 80℃; for 1h; Acetyl chloride (3.00 mL, 42.1 mmol) was added drop wise to a stirred solution of technical grade <strong>[822-16-2]sodium stearate</strong> (227 mg, 0.741 mmol) in methanol (30 mL). The mixture was heated to80 C for 1 hr. After cooling the mixture was concentrated to ca half volume and toluene (30 mL) was added and the solvents concentrated at reduced pressure. The crude residue was partitioned between ether (50 mL) and sat.NaHC03 (40 mL). The aqueous phase was re- extracted with ether (50 mL) and the combined ethereal extract washed with brine (50 mL) after drying(MgS04) and filtration the solvent was removed at reduced pressure to give the methyl ester (200 mg, 0.670 mmol, 90%) as an oil ; 1H NMR (300 MHz,CDC13) 83. 66 (s, 3H), 2.32 (t, 2H,J 7. 4 Hz), 1.65-1. 58 (m, 2H),1. 32-1. 21 (m, 26H), 0.89-0. 80 (m,3H) ;13C NMR (75 MHz,CDC13) 8 174.6, 51.7, 34.5, 32.3, 30.1, 30.0, 29.8, 29.7, 29.6, 29.5, 25.3, 23.0, 14.4 ; GC analysis of this material and comparison with standards confirmed a composition of methyl octadecanoate (55%), methyl hexadecanoate (36%), methyltetradecanoate (2%), methyl dodecanoate (2%) and methyl decadecanoate (1%).
  • 44
  • [ 629-25-4 ]
  • [ 215363-42-1 ]
YieldReaction ConditionsOperation in experiment
50% Example 4 L-Ascorbic acid-2-phosphate-6-laurate The reaction was performed in the same manner as in Example 1, except for using sodium laurate in place of palmitic acid. As a result, 2.2 g of L-ascorbic acid-2-phosphate-6-laurate was obtained (yield: 50%). Various analytic data of the compound thus prepared are shown below. MS m/z=439 [M+H], 461 [M+Na], 483 [M+2Na], 505 [M+3Na] 1 H-NMR (400 MHz, CD3 OD) delta: 0.90 (3H, t, J=6.9 Hz, 7-H), 1.29 (16H, s, 6-H), 1.63 (2H, hep, J=7.3 Hz, 5-H), 2.38 (2H, t, J=7.3 Hz, 4-H), 4.11-4.30 (3H, m, 2, 3-H), 4.86 (1H, t, J=1.7 Hz, 1-H) The assignment numbers of the 1 H-NMR peaks are as follows. STR10 13 C-NMR (100 MHz, CD3 OD) delta: 14.4 (1C, s, 13-C), 23.7 (1C, s, 12-C), 25.9 (1C, s, 11-C), 30.1-30.7 (6C, s, 10-C), 33.0 (1C, s, 9-C), 34.8 (1C, s, 8-C), 65.5 (1C, s, 7-C), 67.9 (1C, s, 6-C), 77.2 (1C, s, 5-C), 115.2 (1C, d, J=5.4 Hz, 4-C), 160.5 (1C, d, J=3.8 Hz, 3-C), 170.5 (1C, d, J=6.1 Hz, 2-C), 175.1 (1C, s, 1-C)
  • 45
  • [ 112-53-8 ]
  • [ 629-25-4 ]
  • [ 13945-76-1 ]
YieldReaction ConditionsOperation in experiment
39 - 72% octyl 2-(N-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N,N-dimethylammonio)acetate trifluoromethanesulfonate; In water; acetone; at 25℃; for 0.25 - 24h;Conversion of starting material; To 6 mL of sodium laurate solution (50 mM), 12.1 mL of water was added to prepare a solution. To each of 1.81 mL of this solution, 0.04 mL of dodecanol (0.75 M) in acetone was added and then sonicated at 30 C for 5 min. Then, 0.15 mL of 40% acetone solution in which the octyl chain-containing condensing agent (20 mM) obtained in Example 2 was contained was added thereto and stirred at 25 C. After 15 min, 30 min, 1 hour, 10 hours, and 24 hours from the start of the reaction, 5M hydrochloric acid (0.3 mL) was added to each reaction mixture to stop the reaction. The reaction mixture was transferred onto an Extrelut (2 g), and washed with water (0.2 mL), and then allowed to stand for 10 min. Ethyl acetate (20 mL) was allowed to flow onto the Extrelut, and then the eluate was distilled under reduced pressure. An internal standard (n-eicosane) in ethyl acetate was added to the residue and stirred sufficiently, and then determined by GC. The analysis conditions of GC were as follows: Apparatus: Shimadzu GC-17AColumn: DB-5 (internal diameter 0.53 mm, length 30 m; manufactured by Agilent Technologies)Column temperature : 260 C, which is the start temperature, was kept for one min, and then increased to 290 C at a temperature rising rate of 20 C/min (1.5 min), and then 290 C was kept for 3.5 min.Injection temperature : 300 CDetection temperature : 300 C The average yield in each period of time of the obtained ester was 72% for 15 min, 62% for 30 min, 65% for one hour, 38% for 10 hours, and 39% for 24 hours. These results confirmed that the reaction at 25 C had complete within 15 min. In esterification by the dehydrating condensation that proceeds in a methanol solvent using DMT-MM, although as high concentration as about 25 M of methanol is used as a nucleophilic agent, the dehydrating condensation takes three hours at room temperature (Kunishima at al., Tetrahedron, 1999, vol. 55, pp.13159-13170). On the other hand, in this example, although the concentration of the alcohol is only 15 mM, which is 1/1600 or less compared with the above concentration, the esterification is accelerated drastically. This seems to be due to interface effects such as the substrate being concentrated locally, and the substrate to be reacted being oriented favorably. Therefore, these results strongly suggest that a series of reactions proceed at micelle/water interfaces. Furthermore, since the amount of ester generated decreases over time, it can be suggested that the reaction proceeds kinetically in a short time, after which, hydrolysis proceeds at the interface.
  • 46
  • [ 629-25-4 ]
  • [ 156-54-7 ]
  • [ 3858-78-4 ]
  • [ 10264-16-1 ]
  • [ 6284-08-8 ]
YieldReaction ConditionsOperation in experiment
0.4%; 87.3% octyl 2-(N-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N,N-dimethylammonio)acetate trifluoromethanesulfonate; In water; at 25℃; for 1h;pH 8.0;Aqueous phosphate buffer;Product distribution / selectivity; To 20 mM phosphate buffer (pH 8) containing 15 mM sodium laurate, 15 mM sodium butyrate, and 20 mM n-butylamine hydrochloride, 3 mM of the octyl chain-containing condensing agent obtained in Example 2 was added at 25 C such that the total volume became 2 mL, and stirred at 25 C for one hour. After the reaction was terminated, the product was determined by gas chromatography in the same manner as in Example 4. The yield of N-butyldodecanamide, which is an amide of lauric acid, was 87.3 %, and the yield of N-butylbutanamide, which is an amide of butyric acid, was 0.4 %. The total yield was 87.7%. Thus, the reaction selectivity was lauric acid : butyric acid = 99.6 : 0.4, which confirmed that the ratio of reaction rate is reflected on the yield.
  • 47
  • [ 15654-71-4 ]
  • [ 629-25-4 ]
  • trans-dilauratobis(ethylenediamine)chromium(III) perchlorate [ No CAS ]
  • 48
  • cis-dichlorobis(ethylenediamine)chromium(III) perchlorate [ No CAS ]
  • [ 629-25-4 ]
  • cis-dilauratobis(ethylenediamine)chromium(III) perchlorate [ No CAS ]
  • 49
  • [ 629-25-4 ]
  • cadmium(II) nitrate [ No CAS ]
  • [ 2605-44-9 ]
  • 50
  • {Pd(C10H21OC6H3CH=NN=CHC6H4OC10H21)(μ-Cl)}2 [ No CAS ]
  • [ 629-25-4 ]
  • [ 127421-33-4 ]
  • 51
  • {Pd(C10H21OC6H3CH=NN=CHC6H4OC10H21)(μ-Cl)}2 [ No CAS ]
  • [ 629-25-4 ]
  • silver perchlorate [ No CAS ]
  • [ 127421-33-4 ]
  • 52
  • [ 10196-18-6 ]
  • [ 629-25-4 ]
  • [ 2452-01-9 ]
  • 53
  • lead(II) nitrate [ No CAS ]
  • [ 629-25-4 ]
  • [ 7772-13-6 ]
  • 54
  • [ 629-25-4 ]
  • [ 7646-85-7 ]
  • [ 2452-01-9 ]
  • 55
  • [ 629-25-4 ]
  • [ 7782-61-8 ]
  • 3Na(1+)*Fe(OCO(CH2)10CH3)6(3-)=Na3{Fe(OCO(CH2)10CH3)6} [ No CAS ]
  • 56
  • [ 629-25-4 ]
  • [ 10361-82-7 ]
  • samarium laurate [ No CAS ]
  • 57
  • [ 629-25-4 ]
  • [ 10024-93-8 ]
  • neodymium laurate [ No CAS ]
  • 58
  • [ 629-25-4 ]
  • [ 10099-58-8 ]
  • lanthanum(III) laurate [ No CAS ]
  • 59
  • [ 629-25-4 ]
  • [ 10361-79-2 ]
  • praseodymium laurate [ No CAS ]
  • 60
  • [ 629-25-4 ]
  • [ 7790-86-5 ]
  • cerium(III) dodecanoate [ No CAS ]
  • 61
  • [ 629-25-4 ]
  • scandium(III) chloride [ No CAS ]
  • scandium laurate [ No CAS ]
  • 62
  • [ 629-25-4 ]
  • cobalt(II) nitrate [ No CAS ]
  • [ 14960-16-8 ]
  • 63
  • [ 629-25-4 ]
  • lanthanum(III) nitrate [ No CAS ]
  • lanthanum(III) laurate [ No CAS ]
  • 64
  • cobalt(II) sulfate [ No CAS ]
  • [ 629-25-4 ]
  • [ 14960-16-8 ]
  • 65
  • thorium(IV) nitrate [ No CAS ]
  • [ 629-25-4 ]
  • thorium laurate [ No CAS ]
  • 66
  • [ 629-25-4 ]
  • silver nitrate [ No CAS ]
  • [ 18268-45-6 ]
YieldReaction ConditionsOperation in experiment
In ethanol; water; at 80℃; for 1h; General procedure: 0.0375M of NaOH was added to a suspension of 0.02 M of palmitic or lauric acid in 100 cm3 of water at 60C, heated to 80C, the resultant solution was cooled to 10C, filtered off and dried. Yield of sodium salts of carboxylates is 91%. A solution of 0.02M of sodium salt of palmitic (lauric) acid in 350 cm3 of 7-% ethyl alcohol was heated to 80C and 0.02M AgNO3 solution in 100 cm3 of water was added. After stirring for 1 hour, the precipitate of silver carboxylate was filtered off. Identified % Calculated % Silver laurateC - 46.93; 46.88 C - 46.92H - 7.83; 7.87 H - 7.55 Silver palmitateC - 52.87; 52.46 C - 52.85H - 8.55; 8.68 H - 8.53 Further studies were carried out to obtain colloidal solutions of silver nanoparticles from such salts.
  • 67
  • [ 629-25-4 ]
  • [ 7758-99-8 ]
  • tetrakis(μ-dodecanoato-O,O')dicopper(II) [ No CAS ]
  • 68
  • dysprosium(III) nitrate hydrate [ No CAS ]
  • [ 629-25-4 ]
  • Dy(3+)*3C11H23COO(1-)*H2O=Dy(C11H23COO)3*H2O [ No CAS ]
  • 69
  • gadolinium nitrate hydrate [ No CAS ]
  • [ 629-25-4 ]
  • Gd(3+)*3C11H23COO(1-)*0.5H2O=Gd(C11H23COO)3*0.5H2O [ No CAS ]
  • 70
  • praseodymium(III) nitrate hydrate [ No CAS ]
  • [ 629-25-4 ]
  • Pr(3+)*3C11H23COO(1-)*0.5H2O=Pr(C11H23COO)3*0.5H2O [ No CAS ]
  • 71
  • neodymium(III) nitrate hydrate [ No CAS ]
  • [ 629-25-4 ]
  • Nd(3+)*3C11H23COO(1-)*0.5H2O=Nd(C11H23COO)3*0.5H2O [ No CAS ]
  • 72
  • ytterbium(III) nitrate hydrate [ No CAS ]
  • [ 629-25-4 ]
  • Yb(3+)*3C11H23COO(1-)*0.5H2O=Yb(C11H23COO)3*0.5H2O [ No CAS ]
  • 73
  • holmium(III) nitrate hydrate [ No CAS ]
  • [ 629-25-4 ]
  • Ho(3+)*3C11H23COO(1-)*0.5H2O=Ho(C11H23COO)3*0.5H2O [ No CAS ]
  • 74
  • europium(III) nitrate hydrate [ No CAS ]
  • [ 629-25-4 ]
  • Eu(3+)*3C11H23COO(1-)*H2O=Eu(C11H23COO)3*H2O [ No CAS ]
  • 75
  • lutetium(III) nitrate hydrate [ No CAS ]
  • [ 629-25-4 ]
  • Lu(3+)*3C11H23COO(1-)*0.5H2O=Lu(C11H23COO)3*0.5H2O [ No CAS ]
  • 76
  • thulium(III) nitrate hydrate [ No CAS ]
  • [ 629-25-4 ]
  • Tm(3+)*3C11H23COO(1-)*H2O=Tm(C11H23COO)3*H2O [ No CAS ]
  • 77
  • erbium nitrate hydrate [ No CAS ]
  • [ 629-25-4 ]
  • Er(3+)*3C11H23COO(1-)*0.5H2O=Er(C11H23COO)3*0.5H2O [ No CAS ]
  • 78
  • cerium(III) nitrate hydrate [ No CAS ]
  • [ 629-25-4 ]
  • Ce(3+)*3C11H23COO(1-)*H2O=Ce(C11H23COO)3*H2O [ No CAS ]
  • 79
  • samarium(III) nitrate hydrate [ No CAS ]
  • [ 629-25-4 ]
  • Sm(3+)*3C11H23COO(1-)*H2O=Sm(C11H23COO)3*H2O [ No CAS ]
  • 80
  • lanthanum(III) nitrate hexahydrate [ No CAS ]
  • [ 629-25-4 ]
  • lanthanum dodecanoate [ No CAS ]
  • 81
  • terbium(III) nitrate hydrate [ No CAS ]
  • [ 629-25-4 ]
  • Tb(3+)*3C11H23COO(1-)*0.5H2O=Tb(C11H23COO)3*0.5H2O [ No CAS ]
  • 82
  • yttrium(III) nitrate hydrate [ No CAS ]
  • [ 629-25-4 ]
  • Y(3+)*3C11H23COO(1-)*0.5H2O=Y(C11H23COO)3*0.5H2O [ No CAS ]
  • 84
  • [ 10196-18-6 ]
  • [ 629-25-4 ]
  • [ 822-16-2 ]
  • Zn(2+)*C12H23O2(1-)*C18H35O2(1-)=Zn(C12H23O2)(C18H35O2) [ No CAS ]
  • 85
  • [ 10196-18-6 ]
  • [ 629-25-4 ]
  • [ 408-35-5 ]
  • Zn(2+)*C12H23O2(1-)*C14H27O2(1-)=Zn(C12H23O2)(C14H27O2) [ No CAS ]
  • 86
  • [ 10196-18-6 ]
  • [ 629-25-4 ]
  • [ 408-35-5 ]
  • Zn(2+)*C12H23O2(1-)*C16H31O2(1-)=Zn(C12H23O2)(C16H31O2) [ No CAS ]
  • 87
  • [ 10196-18-6 ]
  • [ 1002-62-6 ]
  • [ 629-25-4 ]
  • Zn(2+)*C10H19O2(1-)*C12H23O2(1-)=Zn(C10H19O2)(C12H23O2) [ No CAS ]
  • 88
  • [ 629-25-4 ]
  • [ 505-95-3 ]
  • [ 68490-89-1 ]
  • [ 32459-66-8 ]
  • 89
  • [ 629-25-4 ]
  • tetrakis(μ-dodecanoato-O,O')-bis(benzothiazole)dicopper(II) [ No CAS ]
  • 90
  • [ 142-81-4 ]
  • [ 629-25-4 ]
  • N-hexyldodecanamide [ No CAS ]
  • 91
  • [ 629-25-4 ]
  • [ 3287-99-8 ]
  • [ 3858-78-4 ]
  • [ 6284-08-8 ]
  • [ 78172-96-0 ]
  • 92
  • [ 629-25-4 ]
  • [ 156-54-7 ]
  • [ 143-09-9 ]
  • [ 3858-78-4 ]
  • [ 10264-16-1 ]
  • [ 22205-13-6 ]
  • [ 551902-84-2 ]
  • [ 6284-08-8 ]
  • 93
  • [ 629-25-4 ]
  • [ 142-95-0 ]
  • [ 69943-69-7 ]
  • 94
  • [ 629-25-4 ]
  • [ 143-09-9 ]
  • [ 22205-13-6 ]
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