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CAS No. : | 70-53-1 | MDL No. : | MFCD00064563 |
Formula : | C6H15ClN2O2 | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | BVHLGVCQOALMSV-UHFFFAOYSA-N |
M.W : | 182.65 | Pubchem ID : | 12047 |
Synonyms : |
DL-Lysine Monohydrochloride
|
Chemical Name : | H-DL-Lys-OH.HCl |
Num. heavy atoms : | 11 |
Num. arom. heavy atoms : | 0 |
Fraction Csp3 : | 0.83 |
Num. rotatable bonds : | 5 |
Num. H-bond acceptors : | 4.0 |
Num. H-bond donors : | 3.0 |
Molar Refractivity : | 44.0 |
TPSA : | 89.34 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) : | -9.01 cm/s |
Log Po/w (iLOGP) : | 0.0 |
Log Po/w (XLOGP3) : | -2.25 |
Log Po/w (WLOGP) : | -3.36 |
Log Po/w (MLOGP) : | -2.32 |
Log Po/w (SILICOS-IT) : | -0.72 |
Consensus Log Po/w : | -1.73 |
Lipinski : | 0.0 |
Ghose : | None |
Veber : | 0.0 |
Egan : | 0.0 |
Muegge : | 2.0 |
Bioavailability Score : | 0.55 |
Log S (ESOL) : | 0.78 |
Solubility : | 1090.0 mg/ml ; 5.96 mol/l |
Class : | Highly soluble |
Log S (Ali) : | 0.91 |
Solubility : | 1480.0 mg/ml ; 8.08 mol/l |
Class : | Highly soluble |
Log S (SILICOS-IT) : | -0.18 |
Solubility : | 120.0 mg/ml ; 0.658 mol/l |
Class : | Soluble |
PAINS : | 0.0 alert |
Brenk : | 0.0 alert |
Leadlikeness : | 1.0 |
Synthetic accessibility : | 1.85 |
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 |
---|---|---|
93.3% | EXAMPLE 7 6 g of D-lysine monohydrochloride were dissolved in 180 ml of an aqueous 95% acetic acid solution, and 0.34 ml of salicylaldehyde was added thereto. The mixture was stirred at 100 C. for 3 hours. After the reaction, the mixture was condensed. 30 ml of 50% ethanol-acetone were added to the residue, and the crystalline precipitates were collected by filtration. 5.6 g of DL-lysine monohydrochloride were thereby obtained. Yield: 93.3% [alpha]D20 +-0 (C=1, 6N-HCl) The product was identified to be chemically pure lysine monohydrochloride by IR-spectrum and thin layer chromatography. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
57% | With triethylamine; In DMF (N,N-dimethyl-formamide); at 22℃; for 48h; | 3,6 g (20 mmol) Lysin-Hydrochlorid und 6,95 ml (50 mmol) Triethylamin werden in DMF gelst, mit 26,8 g (50 mmol) Na, Ne-Dibenzyloxycarbonyl-Lysin-p-nitrophenylester (Bachem) versetzt und 2 Tage bei Raumtemperatur gerhrt. Nach Beendigung der Reaktion wird im Vakuum eingedampft, der Rckstand in Ethylacetat aufgenommen und mit verdnnter Salzsure ausgeschttelt. Die organische Phase wird mit Natriumsulfat getrocknet, das Lsungsmittel eingedampft und der Rckstand mit Ethylacetat/Ethanol in einem Stufengradienten chromatographiert. Ausbeute: 10,7 g (57 % d. Th.) Elementaranalyse: ber. C 63,95 H 6,65 N 8,95 ; gef. C 63,63 H 6,69 N 8,93 |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
2 mM Lysine hydrochloride (365 mg) was added into 100 mL borate buffer. 80 g (4 mM) of two branched 20 kDa mPEG2CO2Su (10 kDa MW in each branch) was added into the solution while the pH of the solution was maintained at pH8.0 with 0.2 N NaOH. The solution was stirred 24 hours at room temperature and was diluted to 400 ml de-ionized water. The pH of the solution was adjusted to 3 with oxalic acid. Then the solution was triple extracted with dichloromethane. The extract was concentrated and precipitated with dry ether forming a white precipitate. The white precipitate was re-crystallized twice with ethanol to yield a product of crude four branched mPEG4CO2H. The crude product was then purified on a DEAE Sephadex FF column to obtain purified four branched mPEG4CO2H. The yield of the purification of this four branched PEG, with each arm having MW 10 kDa was 92%. Purification was confirmed by NMR, GPC and MALDI MS. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
2 mM Lysine hydrochloride (365 mg) was added into a 2M NaHCO3 solution (2 ml) under stirring, then 2 ml of 0.5M CuSO4 was added into the solution, and the pH was maintained at 8 with borate buffer. 20 g (2 mM) two branched mPEG2CO2Succinimide ester (with one branch of 7 kDa and another of 3 kDa) was introduced into the solution, NaOH was used to maintain the pH of the solution at pH8.0. The solution was stirred for 24 hours at the room temperature and then the reactant was diluted to 100 ml with de-ionized water. The pH of the solution was adjusted to 3 with oxalic acid and then extracted with dichloromethane three times. The extract was concentrated and precipitated with dry ether. The white precipitate was re-crystallized twice with ethanol to obtain (mPEG2Lys)2Cu. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With sodium hydroxide; In water; at 40℃; for 6h;pH 9 - 9.5; | 6.15 g (10MMOL) Reactive Red 2 (bezogen auf eine 100% ige Farbstoffqualitaet) und 2.0 g (11 mmol) DL-Lysin-hydrochlorid werden in 30 ml Wasser geloest und der pH-Wert mit Natronlauge 30% auf 9-9.5 eingestellt. Anschliessend wird die Loesung AUF 40 C erwaermt und 6 Stunden unter Konstanthaltung des pH-Wertes und der Temperatur geruehrt. Man kuehlt auf Raumtemperatur ab und faellt 5-((4-((5-AMINO-5-CARBOXYPENTYL) AMINO)-6-CHLOR- 1,3, 5-TRIAZIN-2-YL} AMINO)-4-HYDROXY-3- (PHENYLAZO)-2, 7-NAPHTHALIN-DISULFONS URE- dinatriumsalz durch Zugabe von Methanol nach Massgabe der Kristallisation aus. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With hydrogenchloride; at 120℃; under 247.525 Torr; for 7h; | Reference Example 1: Production of mixture comprising LTI Lysine monohydrochloride (102 g) and ethanolamine (109 g) were mixed, and hydrogen chloride gas in an amount corresponding to 1.2 mole times ethanolamine was injected into the mixture for over 2 hours. While controlling the mixture at 120C and at 33 kPa, hydrogen chloride gas was further circulated at 0.2 L/mol lysine monohydrochloride/min, and the resulting mixture was retained for 7 hours. After the reaction, crystallization was performed with a mixed solvent of methanol and n-butanol. Filtration was then performed and the filtrate was dried under reduced pressure at 60C and at 66 Pa, and thereby 100 g of lysine-beta-aminoethyl ester trihydrochloride was obtained. The resulting lysine-beta-aminoethyl ester trihydrochloride (100 g) was mixed with 500 g of o-dichlorobenzene, and while heating at 130C, phosgene gas was injected into the mixture for over 12 hours at a flow rate of 3 mol/lysine-beta-aminoethyl ester trihydrochloride/hour. Subsequently, nitrogen gas was injected to remove phosgene, and o-dichlorobenzene was distilled at 1.3 kPa between 50C to 120C. A mixture (100 g) comprising LTI with a purity of 80% was thereby obtained. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
In water; at 25℃; for 0.5h;Reactivity; | Lysine hydrochloride (manufactured by Tokyo Kasei Kogyo K. K.) was dissolved in water to prepare a 3.0% aqueous lysine hydrochloride solution. The aforementioned moisture absorptive and desorptive fiber B of an acrylic acid type was dipped in the solution in a bath ratio of 1/20 at 25 C. for 30 minutes, washed with running water for 5 minutes and dried with a hot-air drier of 70 C. to give a sustained-release polymer for amino acid derivative in a fibrous shape. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With iodine; In water; | EXAMPLE 2 Preparation of lysine iodine Following a method similar to example 1, 85 ml of water was added, raised the temperature up to 75 C. with stirring, then added 24 g of lysine hydrochloride, when dissolved completely, 19 g of iodine was gradually added to the solution, and the mixture was stirred for about 130 minutes, then filtrated, the filtrate was concentrated and dried to afford 40.20 g title compound. By analyzing, the obtained product was found to have the following data: Available iodine content: 16.1 g Lysine hydrochloride:23.5 g. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With sodium hydroxide; In 1,4-dioxane; water; | (a) 1st Stage-Synthesis of N,N'-Bis(tert-butoxycarbonyl)lysine: A solution of Boc2O (25 g, 114 mmol) in dioxane (50 ml) was added to a solution of lysine monohydrochloride (10 g, 54 mmol) and NaOH (4.4 g, 108 mmol) in water (50 ml). The reaction mixture was stirred at 45 C. until it (became clear (about 2.5 h). The solvent was evaporated to a final volume of about 20 ml and the resulting solution was diluted with 100 ml of water and washed with petrolether (50 ml). The aqueous layer was acidified with aqueous KHSO4 (8 g in 50 ml) to pH 3 and the product was extracted with ethyl acetate (3*50 ml). The collected extracts were washed with aqueous NaCl and dried over Na2SO4. Ethyl acetate was taken off under reduced pressure and 18.5 g (53 mmol) of the colourless oily product was obtained. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Trifluoroacetyl-DL-Lysine Trifluoroacetyl-DL-lysine was obtained by treating <strong>[70-53-1]DL-lysine monohydrochloride</strong> with s-ethyl thiol trifluoro acetate (SETFA) in basic solution, as described in Schallenberg and Calvin, JACS 77, 2779 (1955). |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
In water; | (13) Sodium 7-[2-(2-aminothiazol-4-yl)-2- methoxyiminoacetamido]-3-cephem-4-carboxylate (syn isomer, 1.21 g.) was added to a solution of lysine hydrochloride (0.55 g.) in water (12 ml.). The solution was lyophilized to give a lysine salt of 7-[2-(2-aminothiazol-4-yl)-2-methoxyiminoacetamido]-3-cephem-4-carboxylic acid (syn isomer, 1.6 g.). I.R. numaxNujol: 3350, 3150, 1770, 1600(broad), 1530, 1460 cm-1. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
529.7 mg (68%) | In methanol; water; | EXAMPLE 5 N6 -t-butyloxycarbonyllysine To the solution of 575 mg of lysine monohydrochloride in 2 ml of water, 6.2 ml of 1N methanolic potassium hydroxide was added and then 645 mg of t-butyl succinimidyl carbonate in 3 portions was mixed in over 20 minutes while stirring at room temperature. Stirring was continued for another 2 hours, then the reaction mixture was acidified to pH 5, methanol evaporated and the white precipitate collected by filtration giving 779 mg (quantitative yield) of the crude title compound. This was twice recrystallized from warm water to give 529.7 mg (68%) of pure compound. Its infrared spectrum in Nujol was identical to that of the authentic sample of N6 -t-butyloxycarbonyllysine. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With potassium hydrogencarbonate; In water; ethyl acetate; isopropyl alcohol; acetone; | [1] Lysine-methacrylamide [compound represented by Formula (5) or (6)] Potassium hydrogencarbonate(5.51 g) was dissolved in 100 ml of distilled water, 9.13 g of lysine hydrochloride was dissolved in the solution, and 80 ml of acetone was further added to the solution. The reaction mixture was added dropwise with 5.23 g of methacryloyl chloride over about 10 minutes with vigorous stirring under ice cooling, and further vigorously stirred for about 2 hours. The reaction mixture was adjusted to pH 1-2 with concentrated hydrochloric acid, and saturated with sodium chloride. The aqueous layer was washed twice with 100 ml of ethyl acetate, and extracted 3 times with 100 ml of ethyl acetate/isopropanol = 1/2. The ethyl acetate/isopropanollayers were combined, concentrated to about 50 ml under reduced pressure, added with 500 ml of isopropanol, and again concentrated to about 200 ml. The deposited sodium chloride was removed by filtration, and the filtrate was concentrated (colorless syrup, 5.53 g) |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
at 37℃; for 24h;pH 8.5;Aqueous carbonate buffer; | The degree of oxidation was determined by reacting the conjugate with hydroxylamine hydrochloride and titrating the formed free HCl with NaOH solution to the end point of phenol phthalein. AG with a degree of oxidation of 0.005 mol aldehydes per Ig polysaccharide was dissolved in 0.1 M carbonate buffer pH 8.5 (10ml), followed by the addition of lysine hydrochloride (1% w/w, lOmg), and the reaction mixture was shaken at 370C for 24 h . The imine conjugate gel was divided in two; one portion was reacted with excess ethanolamine to block the extra aldehyde groups. After 5 hours the gel was separated and washed carefully to remove unreacted ethanolamine and other small molecules. The other half of the original gel portion and half of the ethanolamine derivative portion were reduced to the amine form by the addition of sodium borohydride (1.1 moles NaBH4ZmOl of saccharide unit in AG) to the reaction mixture for 12 h at room temperature, and then drying under vacuum. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Lysine monohydrochloride (0.80 g, 0.00438 moles) was dissolved in 200 ml of 0.1 M borate buffer and the pH was adjusted to 8.5 with 0.1 M NaOH. To the resulting solution was added BnO-PEG(5KDa)- BTC (Nektar Therapeutics, 50.0 g, 0.01000 moles) over 30 minutes and the pH was kept at 8.5 by addition of 0.1 M NaOH. After stirring the resulting solution for 3 h, NaCl (2Og) was added and the pH was adjusted to 3.0 with 10% phosphoric acid. The product was extracted with dichloromethane and the extract dried over MgSO4. Next the solvent was distilled off under reduced pressure. The wet product was dried under vacuum to yield 47.5 g of product as a white solid. HPLC analysis showed that the product: di-N-PEGylated lysine (MW about 10 KDa) was 83.3 % pure and was contaminated with high molecular weight (2.1 wt %) and low molecular weight (14.6 wt %) side products. The product was purified by ion exchange chromatography using DEAE Sepharose FF media giving 34.8 g of 100% pure lysine based Benzyloxy-PEG2(10 KDa)-acid.[00181] NMR (d6-DMSO): 1.35 ppm (bm, -CH-(CH7VCH7-NH-. lysine, 6H), 2.92 ppm (q, -CH2-NH-, lysine, 2H), 3.51 ppm (s, polymer backbone), 3.95 ppm (m, -CH-COOH, lysine, IH), 4.02 ppm (m, -OCH2- CH2-O-(C=O)NH-, 4H) 4.49 ppm (s, -CH2-, benzyl, 4H), 6.75 ppm (t, -CH2NH(C=O)-, lysine, IH), 7.32 ppm (m, aromatic protons of benzyl groups, 10H). |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With sodium hydroxide; In water; at 0℃; for 0.166667h; | Lysine hydrochloride (4.2 gr, 23 mmol) was dissolved in 30 mL of water. NaOH (0.91 gr, 23 mmol) was added to the mixture which was cooled with an ice batch. To this mixture was added trans cinnamaldehyde (3.0 gr 23 mmol) and the product precipitated in about 10 minutes. The mixture was filtered and washed with water. The solid was dried to yield about 4.9 gr | |
With sodium hydroxide; In water; at 0℃; for 0.166667h; | Lysine hydrochloride (4.2 gr, 23 mmol) was dissolved in 30 mL of water. NaOH (0.91 gr, 23 mmol) was added to the mixture which was cooled with an ice batch. To this mixture was added trans cinnamaldehyde (3.0 gr 23 mmol) and the product precipitated in about 10 minutes. The mixture was filtered and washed with water. The solid was dried to yield about 4.9 gr. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With sodium hydroxide; In water; at 0℃; for 0.166667h; | Lysine hydrochloride (2.2 gr, 12 mmol) was dissolved in 25 mL of water. NaOH (0.48 gr, 12 mmol) was added to the mixture which was cooled with an ice batch. To this mixture was added 4-methoxybenzaldehyde (1.6 gr, 12 mmol) and the product precipitated in about 10 minutes. The mixture was filtered and washed with water. The solid was dried to yield about 2.6 gr. | |
With sodium hydroxide; In water; at 0℃; for 0.166667h; | Lysine hydrochloride (2.2 gr, 12 mmol) was dissolved in 25 mL of water. NaOH (0.48 gr, 12 mmol) was added to the mixture which was cooled with an ice batch. To this mixture was added 4-methoxybenzaldehyde (1.6 gr, 12 mmol) and the product precipitated in about 10 minutes. The mixture was filtered and washed with water. The solid was dried to yield about 2.6 gr. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Lysine hydrochloride (2.7 gr, 14.8 mmol) was dissolved in 100 mL of water. NaOH (0.59 gr, 14.8 mmol) was added to the mixture which was cooled with an ice batch. The pH was adjusted to between 4-5 by the addition of acetic acid. To this mixture was added octylaldehyde (1.9 gr, 14.8 mmol) and the product precipitated in about 10 minutes. The precipitate agglomerated as an oil. The solvent was decanted off and the oil residue dried under vacuum. This yielded 2.5 gr as an oil. | ||
With sodium hydroxide; acetic acid; In water; at 0℃; for 0.166667h;pH 4 - 5; | Lysine hydrochloride (2.7 gr, 14.8 mmol) was dissolved in 100 mL of water. NaOH (0.59 gr, 14.8 mmol) was added to the mixture which was cooled with an ice batch. The pH was adjusted to between 4-5 by the addition of acetic acid. To this mixture was added octylaldehyde (1.9 gr, 14.8 mmol) and the product precipitated in about 10 minutes. The precipitate agglomerated as an oil. The solvent was decanted off and the oil residue dried under vacuum. This yielded 2.5 gr as an oil. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
In ethanol; | Example 119 Bis(4,4'-(phenyl-lysineboryl)phenyl) ether [Show Image] The entitled compound (25 mg) was obtained by allowing 37 mg of bis(4,4'-(phenylhydroxyboryl)phenyl) ether and 35 mg of lysine hydrochloride to act in 0.25 mL of ethanol. NMR (DMSO-d6), 0.80 (m, 4H), 1.10 (m, 4H), 1.60 (m, 4H), 2.2 (m, 8H), 2.70 (m, 4H), 6.8-7.2 (m, 18H) |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Lysine methyl ester dihydrochloride (7.2 parts) and lysine monohydrochloride (22.6 parts) were dissolved in distilled water (40 parts). The solution was neutralized by adding sodium hydroxide (7.8 parts) little by little to prepare a lysine aqueous solution. On the other hand, polysuccinimide (100 parts) with a weight-average molecular weight (Mw) of 96,000 was dissolved in DMF (400 parts) under nitrogen atmosphere. To this solution was added the aforementioned lysine aqueous solution, and the mixture was stirred for 1 hour. The reaction was continued for 20 hours after the stirring was stopped. The reactant was transferred to a mixer equipped with a stirrer with blades, and to the mixer was added distilled water (400 parts) and methanol (400 parts), and the gel was chopped at 8000 rpm for 5 minutes. Then, a 27 weight % sodium hydroxide aqueous solution (129.7 parts) was dropwise added during a span of 2 hours, the stirring was continued for 2 hours, and the mixture was neutralized with 7 weight % hydrochloric acid to pH 7. Subsequently, to the mixture was added methanol (300 parts), and the precipitate was dried at 60 C. Cross-linked polyaspartic acid (143 parts) was obtained by crushing the dried precipitate with a sample mill until a particle diameter of less than 100 mum was reached. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With sodium hydroxide; In water; at 0℃; for 0.166667h; | Lysine hydrochloride (4.8 gr, 26.3 mmol) was dissolved in 35 mL of water. NaOH (1 gr, 26.3 mmol) was added to the mixture which was cooled with an ice batch. To this mixture was added benzaldehyde (2.8 gr, 26.3 mmol) and the product precipitated in about 10 minutes. The mixture was filtered and washed with water. The solid was dried to yield about 5.2 gr of a white solid. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
18% | With sodium carbonate; In water; at 20℃; for 0.166667h; | [Synthesis of the compound (40)]; The compound (22) (6 mg, 0.006 mmol) was dissolved in water (12 mL) to be subjected to stirring for 10 minutes. Then, to the resulting reaction solution, a solution dissolved with lysine monohydrate (2.1 mg, 0.011 mmol) and sodium carbonate (0.6 mg, 0.006 mmol) in water (6 mL) was slowly added to stirring at room temperature overnight. After completion of the reaction, the solvent was removed under reduced pressure, to be subjected to purification by using fractionation reversed phase HPLC [elution liquid; A solution (5% acetonitrile-0.1% trifluoroacetic acid, aqueous solution): B solution (95% acetonitrile-0.1% trifluoroacetic acid, aqueous solution) =90:10] (trade name [Wakosil-II 5C18 RS Pres (20.0 mm × 250 mm)], manufactured by Wako Pure Chemical Industries, Ltd.) to give the compound (40) (1 mg, yield; 18%). Property data: Mass (nega=955) |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
To 3 liter three-neck round-bottom flask put with 1644 ml of water, 182.7 g of lysine hydrochloride was added and dissolved, followed by adjusting the pH of the solution to about 9.5 by adding 20 % aqueous sodium hydroxide. While being heated at about 60C and agitated, the aqueous solution was gradually dropped with 74 g of glycidol over 30 minutes. After the dropping finished, the solution was still left at 60C under agitation for 5 hours to complete reaction. After completion of the reaction, the reaction solution was cooled down to a room temperature and then its pH was adjusted to 6.8 by adding hydrochloric acid, followed by concentration under a reduced pressure to obtain 258g of glyceryl derivative of lysine. Contents of total nitrogen, total carbon and amino nitrogen were measured on the glyceryl derivative of lysine obtained and lysine hydrochloride employed as raw material. The results were as follows.According to the above results, it was confirmed that 40 % or more of the amino groups in the lysine were reacted with glyceryl group, and it was understood that the major component of the obtained glyceryl derivative of lysine was N-glyceryllysine hydrochloride. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With water; In ethanol; at 80℃; for 1h; | Example 271 diphenyl(lysinate-O,N)borane (906) TG 109, x-Fold 1.07, SOC IC50 0.5 muM Diphenylborinic acid (49 mg) and lysine hydrochloride (49 mg) were stirred with heating in a mixture of ethanol (1.5 ml) and water (0.5 mL) at 80 C. for 1 hr to give the title compound (44 mg). |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
In methanol; | Example 1Synthesis of L-Lysine Methyl Ester DihydrochlorideTo a mixture of L-Lysine-Hydrochloride (100 g) in 1.75 L of methanol at 0° C. was bubbled dry HCl for 7 hours.The crude solid product was filtered, dried to get pure L-Lysine methyl ester dihydrochloride (117 g, 91.6percent) as a white powder with a melting point of 204.5-206° C.The compound was characterized by 1H NMR (DMSO-d6) delta 1.48 (m, 2H, CH2), 1.68 (m, 2H, CH2), 1.90 (m, 2H, CH2), 2.80 (m, 2H, CH2), 3.78 (s, 3H, Ester), 4.00 (t, 1H, CH), 8.20 (bs, 2H, NH2), 8.70 (bs, 2H, NH2). | |
In methanol; | Example 21Synthesis of L-Lysine Methyl Ester DihydrochlorideA mixture of L-Lysine-Hydrochloride (100 g) in methanol (1.75 lit) at 0° C. was bubbled dry HCl for 7 hours.The crude solid product was filtered and dried to get pure L-Lysine methyl ester dihydrochloride (117 g) as a white powder with a melting point of 204.5-206° C.The product was characterized by 1H NMR (DMSO-d6) delta 1.48 (m, 2H, CH2), 1.68 (m, 2H, CH2), 1.90 (m, 2H, CH2), 2.80 (m, 2H, CH2), 3.78 (s, 3H, Ester), 4.00 (t, 1H, CH), 8.20 (bs, 2H, NH2), 8.70 (bs, 2H, NH2). |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
88% | at 20℃; for 12h; | [0035] The general reaction for formation of ZLC is as follows: ZnO + 2(Lysine-HCl)- > [Zn(Lysine)2Cl]+Cr-2H20 (ZLC) A 2: 1 molar ratio of ZnO:Lysine HCl suspension is prepared with stirring at room temperature for about 12 hours. The mixture is centrifuged. 1ml of supernatant is transferred into an NMR tube. The NMR tube is then placed in a closed test tube filled with ethanol for crystal growth. A number of colorless, cubic crystals are formed after a week. The crystal structure of ZLC crystal is determined by single crystal X-ray diffraction. ZLC has an empirical formula as Ci2H32N406Cl2Zn with molecular weight of 464.44 g/mol. In this complex, Zn cation is coordinated by two two lysine ligands with two N atoms from NH2 groups and O atoms from carboxylic groups in an equatorial plane. It displays a distorted square-pyramidal geometry with the apical position occupied by a CI atom. This structure gives rise to a positive cation moiety, to which a CI anion is combined to form an ionic salt. [0036] Laboratory scale-up synthesis of pure ZLC powder: 2 mole of LysineHCl is dissolved in 1000ml DI water with stirring at room temperature, lmole of solid ZnO is added slowly to the LysineHCl solution with stirring and the stirring is continued at RT overnight (about 12 hours). The suspension solution is centrifuged at high speed for 15mins. The supernatant is slowly poured into EtOH. A precipitate is formed immediately. Approximately 5-8ml EtOH is needed to get lg powder. The EtOH solvent with powder is filtered, and an off-white powder is obtained. The powder is placed in a 50C oven for drying and an 88% yield of product is obtained. PXRD confirms the purity of ZLC powder compared to ZLC crystal (Figure 1). In this example, the ZLC is crystallized by using ethanol as an antisolvent. Any antisolvent can be used. Optionally, the solution can be spray dried. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With sodium hydroxide; In water; at 20℃; for 2h;pH Ca. 9; | 96 g of lysine hydrochloride is dissolved in 4000ml distilled water with stirring at room temperature. 193.3 g sodium tripolyphosphate pentabasic is added with stirring, followed by 50% aqueous sodium hydroxide to adjust the pH to about 9. To the resulting solution, 42.79 g of zinc oxide is slowly added. The mixture is then allowed to stir at room temperature for 2 hours. Upon completion of the reaction, the reaction is filtered to afford a pure aqueous solution of ZLP complex. The ZLP is analyzed by LC-MS and NMR. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
86% | Stage #1: carbon dioxide; 2,6-diaminohexanoic acid hydrochloride In 1,2-dichloro-benzene at 140℃; for 12h; Autoclave; Stage #2: bis(phenyl) carbonate In 1,2-dichloro-benzene at 80℃; for 10h; | 26 (Production Step for Carbamate) General procedure: The composition containing the compound having a urea linkage produced in the step described above was transferred to a 2 L four-neck flask fitted with a stirrer, 950 g of ortho-dichlorobenzene as a solvent and 224 g (1.05 mol) of diphenyl carbonate, an amount equimolar with the produced urea conjugate, were added to the flask, and the resulting mixture was reacted at 80° C. for 10 hours. The reaction liquid was sampled, and analysis by liquid chromatography revealed that the target N,N′-hexanediyl-bis-carbamic acid diphenyl ester (hereafter referred to as “the carbamate”) had been produced. Hydrochloric acid with a concentration of 1 mol/L was added to the reaction liquid and stirred, and the organic layer was then collected and washed with ion-exchanged water. The ortho-dichlorobenzene was removed from the organic layer by distillation using a rotary evaporator, and analysis of the thus obtained solid by 1H-NMR confirmed the target carbamate (purity: 99%). The yield of the carbamate relative to the raw material amine was 92%. |
[ 60259-81-6 ]
(S)-2,5-Diaminopentanoic acid acetic acid salt
Similarity: 0.97
Precautionary Statements-General | |
Code | Phrase |
P101 | If medical advice is needed,have product container or label at hand. |
P102 | Keep out of reach of children. |
P103 | Read label before use |
Prevention | |
Code | Phrase |
P201 | Obtain special instructions before use. |
P202 | Do not handle until all safety precautions have been read and understood. |
P210 | Keep away from heat/sparks/open flames/hot surfaces. - No smoking. |
P211 | Do not spray on an open flame or other ignition source. |
P220 | Keep/Store away from clothing/combustible materials. |
P221 | Take any precaution to avoid mixing with combustibles |
P222 | Do not allow contact with air. |
P223 | Keep away from any possible contact with water, because of violent reaction and possible flash fire. |
P230 | Keep wetted |
P231 | Handle under inert gas. |
P232 | Protect from moisture. |
P233 | Keep container tightly closed. |
P234 | Keep only in original container. |
P235 | Keep cool |
P240 | Ground/bond container and receiving equipment. |
P241 | Use explosion-proof electrical/ventilating/lighting/equipment. |
P242 | Use only non-sparking tools. |
P243 | Take precautionary measures against static discharge. |
P244 | Keep reduction valves free from grease and oil. |
P250 | Do not subject to grinding/shock/friction. |
P251 | Pressurized container: Do not pierce or burn, even after use. |
P260 | Do not breathe dust/fume/gas/mist/vapours/spray. |
P261 | Avoid breathing dust/fume/gas/mist/vapours/spray. |
P262 | Do not get in eyes, on skin, or on clothing. |
P263 | Avoid contact during pregnancy/while nursing. |
P264 | Wash hands thoroughly after handling. |
P265 | Wash skin thouroughly after handling. |
P270 | Do not eat, drink or smoke when using this product. |
P271 | Use only outdoors or in a well-ventilated area. |
P272 | Contaminated work clothing should not be allowed out of the workplace. |
P273 | Avoid release to the environment. |
P280 | Wear protective gloves/protective clothing/eye protection/face protection. |
P281 | Use personal protective equipment as required. |
P282 | Wear cold insulating gloves/face shield/eye protection. |
P283 | Wear fire/flame resistant/retardant clothing. |
P284 | Wear respiratory protection. |
P285 | In case of inadequate ventilation wear respiratory protection. |
P231 + P232 | Handle under inert gas. Protect from moisture. |
P235 + P410 | Keep cool. Protect from sunlight. |
Response | |
Code | Phrase |
P301 | IF SWALLOWED: |
P304 | IF INHALED: |
P305 | IF IN EYES: |
P306 | IF ON CLOTHING: |
P307 | IF exposed: |
P308 | IF exposed or concerned: |
P309 | IF exposed or if you feel unwell: |
P310 | Immediately call a POISON CENTER or doctor/physician. |
P311 | Call a POISON CENTER or doctor/physician. |
P312 | Call a POISON CENTER or doctor/physician if you feel unwell. |
P313 | Get medical advice/attention. |
P314 | Get medical advice/attention if you feel unwell. |
P315 | Get immediate medical advice/attention. |
P320 | |
P302 + P352 | IF ON SKIN: wash with plenty of soap and water. |
P321 | |
P322 | |
P330 | Rinse mouth. |
P331 | Do NOT induce vomiting. |
P332 | IF SKIN irritation occurs: |
P333 | If skin irritation or rash occurs: |
P334 | Immerse in cool water/wrap n wet bandages. |
P335 | Brush off loose particles from skin. |
P336 | Thaw frosted parts with lukewarm water. Do not rub affected area. |
P337 | If eye irritation persists: |
P338 | Remove contact lenses, if present and easy to do. Continue rinsing. |
P340 | Remove victim to fresh air and keep at rest in a position comfortable for breathing. |
P341 | If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing. |
P342 | If experiencing respiratory symptoms: |
P350 | Gently wash with plenty of soap and water. |
P351 | Rinse cautiously with water for several minutes. |
P352 | Wash with plenty of soap and water. |
P353 | Rinse skin with water/shower. |
P360 | Rinse immediately contaminated clothing and skin with plenty of water before removing clothes. |
P361 | Remove/Take off immediately all contaminated clothing. |
P362 | Take off contaminated clothing and wash before reuse. |
P363 | Wash contaminated clothing before reuse. |
P370 | In case of fire: |
P371 | In case of major fire and large quantities: |
P372 | Explosion risk in case of fire. |
P373 | DO NOT fight fire when fire reaches explosives. |
P374 | Fight fire with normal precautions from a reasonable distance. |
P376 | Stop leak if safe to do so. Oxidising gases (section 2.4) 1 |
P377 | Leaking gas fire: Do not extinguish, unless leak can be stopped safely. |
P378 | |
P380 | Evacuate area. |
P381 | Eliminate all ignition sources if safe to do so. |
P390 | Absorb spillage to prevent material damage. |
P391 | Collect spillage. Hazardous to the aquatic environment |
P301 + P310 | IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician. |
P301 + P312 | IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. |
P301 + P330 + P331 | IF SWALLOWED: Rinse mouth. Do NOT induce vomiting. |
P302 + P334 | IF ON SKIN: Immerse in cool water/wrap in wet bandages. |
P302 + P350 | IF ON SKIN: Gently wash with plenty of soap and water. |
P303 + P361 + P353 | IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower. |
P304 + P312 | IF INHALED: Call a POISON CENTER or doctor/physician if you feel unwell. |
P304 + P340 | IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing. |
P304 + P341 | IF INHALED: If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing. |
P305 + P351 + P338 | IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. |
P306 + P360 | IF ON CLOTHING: Rinse Immediately contaminated CLOTHING and SKIN with plenty of water before removing clothes. |
P307 + P311 | IF exposed: call a POISON CENTER or doctor/physician. |
P308 + P313 | IF exposed or concerned: Get medical advice/attention. |
P309 + P311 | IF exposed or if you feel unwell: call a POISON CENTER or doctor/physician. |
P332 + P313 | IF SKIN irritation occurs: Get medical advice/attention. |
P333 + P313 | IF SKIN irritation or rash occurs: Get medical advice/attention. |
P335 + P334 | Brush off loose particles from skin. Immerse in cool water/wrap in wet bandages. |
P337 + P313 | IF eye irritation persists: Get medical advice/attention. |
P342 + P311 | IF experiencing respiratory symptoms: call a POISON CENTER or doctor/physician. |
P370 + P376 | In case of fire: Stop leak if safe to Do so. |
P370 + P378 | In case of fire: |
P370 + P380 | In case of fire: Evacuate area. |
P370 + P380 + P375 | In case of fire: Evacuate area. Fight fire remotely due to the risk of explosion. |
P371 + P380 + P375 | In case of major fire and large quantities: Evacuate area. Fight fire remotely due to the risk of explosion. |
Storage | |
Code | Phrase |
P401 | |
P402 | Store in a dry place. |
P403 | Store in a well-ventilated place. |
P404 | Store in a closed container. |
P405 | Store locked up. |
P406 | Store in corrosive resistant/ container with a resistant inner liner. |
P407 | Maintain air gap between stacks/pallets. |
P410 | Protect from sunlight. |
P411 | |
P412 | Do not expose to temperatures exceeding 50 oC/ 122 oF. |
P413 | |
P420 | Store away from other materials. |
P422 | |
P402 + P404 | Store in a dry place. Store in a closed container. |
P403 + P233 | Store in a well-ventilated place. Keep container tightly closed. |
P403 + P235 | Store in a well-ventilated place. Keep cool. |
P410 + P403 | Protect from sunlight. Store in a well-ventilated place. |
P410 + P412 | Protect from sunlight. Do not expose to temperatures exceeding 50 oC/122oF. |
P411 + P235 | Keep cool. |
Disposal | |
Code | Phrase |
P501 | Dispose of contents/container to ... |
P502 | Refer to manufacturer/supplier for information on recovery/recycling |
Physical hazards | |
Code | Phrase |
H200 | Unstable explosive |
H201 | Explosive; mass explosion hazard |
H202 | Explosive; severe projection hazard |
H203 | Explosive; fire, blast or projection hazard |
H204 | Fire or projection hazard |
H205 | May mass explode in fire |
H220 | Extremely flammable gas |
H221 | Flammable gas |
H222 | Extremely flammable aerosol |
H223 | Flammable aerosol |
H224 | Extremely flammable liquid and vapour |
H225 | Highly flammable liquid and vapour |
H226 | Flammable liquid and vapour |
H227 | Combustible liquid |
H228 | Flammable solid |
H229 | Pressurized container: may burst if heated |
H230 | May react explosively even in the absence of air |
H231 | May react explosively even in the absence of air at elevated pressure and/or temperature |
H240 | Heating may cause an explosion |
H241 | Heating may cause a fire or explosion |
H242 | Heating may cause a fire |
H250 | Catches fire spontaneously if exposed to air |
H251 | Self-heating; may catch fire |
H252 | Self-heating in large quantities; may catch fire |
H260 | In contact with water releases flammable gases which may ignite spontaneously |
H261 | In contact with water releases flammable gas |
H270 | May cause or intensify fire; oxidizer |
H271 | May cause fire or explosion; strong oxidizer |
H272 | May intensify fire; oxidizer |
H280 | Contains gas under pressure; may explode if heated |
H281 | Contains refrigerated gas; may cause cryogenic burns or injury |
H290 | May be corrosive to metals |
Health hazards | |
Code | Phrase |
H300 | Fatal if swallowed |
H301 | Toxic if swallowed |
H302 | Harmful if swallowed |
H303 | May be harmful if swallowed |
H304 | May be fatal if swallowed and enters airways |
H305 | May be harmful if swallowed and enters airways |
H310 | Fatal in contact with skin |
H311 | Toxic in contact with skin |
H312 | Harmful in contact with skin |
H313 | May be harmful in contact with skin |
H314 | Causes severe skin burns and eye damage |
H315 | Causes skin irritation |
H316 | Causes mild skin irritation |
H317 | May cause an allergic skin reaction |
H318 | Causes serious eye damage |
H319 | Causes serious eye irritation |
H320 | Causes eye irritation |
H330 | Fatal if inhaled |
H331 | Toxic if inhaled |
H332 | Harmful if inhaled |
H333 | May be harmful if inhaled |
H334 | May cause allergy or asthma symptoms or breathing difficulties if inhaled |
H335 | May cause respiratory irritation |
H336 | May cause drowsiness or dizziness |
H340 | May cause genetic defects |
H341 | Suspected of causing genetic defects |
H350 | May cause cancer |
H351 | Suspected of causing cancer |
H360 | May damage fertility or the unborn child |
H361 | Suspected of damaging fertility or the unborn child |
H361d | Suspected of damaging the unborn child |
H362 | May cause harm to breast-fed children |
H370 | Causes damage to organs |
H371 | May cause damage to organs |
H372 | Causes damage to organs through prolonged or repeated exposure |
H373 | May cause damage to organs through prolonged or repeated exposure |
Environmental hazards | |
Code | Phrase |
H400 | Very toxic to aquatic life |
H401 | Toxic to aquatic life |
H402 | Harmful to aquatic life |
H410 | Very toxic to aquatic life with long-lasting effects |
H411 | Toxic to aquatic life with long-lasting effects |
H412 | Harmful to aquatic life with long-lasting effects |
H413 | May cause long-lasting harmful effects to aquatic life |
H420 | Harms public health and the environment by destroying ozone in the upper atmosphere |
Sorry,this product has been discontinued.
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