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CAS No. : | 548-62-9 | MDL No. : | MFCD00011750 |
Formula : | C25H30ClN3 | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | ZXJXZNDDNMQXFV-UHFFFAOYSA-M |
M.W : | 407.98 | Pubchem ID : | 11057 |
Synonyms : |
|
Num. heavy atoms : | 29 |
Num. arom. heavy atoms : | 12 |
Fraction Csp3 : | 0.24 |
Num. rotatable bonds : | 4 |
Num. H-bond acceptors : | 0.0 |
Num. H-bond donors : | 0.0 |
Molar Refractivity : | 128.45 |
TPSA : | 9.49 Ų |
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) : | -8.26 cm/s |
Log Po/w (iLOGP) : | -1.21 |
Log Po/w (XLOGP3) : | 0.74 |
Log Po/w (WLOGP) : | 1.46 |
Log Po/w (MLOGP) : | 4.1 |
Log Po/w (SILICOS-IT) : | 3.11 |
Consensus Log Po/w : | 1.64 |
Lipinski : | 0.0 |
Ghose : | None |
Veber : | 0.0 |
Egan : | 0.0 |
Muegge : | 0.0 |
Bioavailability Score : | 0.55 |
Log S (ESOL) : | -2.88 |
Solubility : | 0.54 mg/ml ; 0.00132 mol/l |
Class : | Soluble |
Log S (Ali) : | -0.52 |
Solubility : | 124.0 mg/ml ; 0.303 mol/l |
Class : | Very soluble |
Log S (SILICOS-IT) : | -6.65 |
Solubility : | 0.0000909 mg/ml ; 0.000000223 mol/l |
Class : | Poorly soluble |
PAINS : | 1.0 alert |
Brenk : | 2.0 alert |
Leadlikeness : | 1.0 |
Synthetic accessibility : | 4.11 |
Signal Word: | Danger | Class: | 9 |
Precautionary Statements: | P273-P280-P305+P351+P338-P501 | UN#: | 3077 |
Hazard Statements: | H302-H318-H351-H410 | Packing Group: | Ⅲ |
GHS Pictogram: |
* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With sodium hydroxide | ||
With sodium methylate |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With air; C6H5COC6H4CH2N(C2H5)3(1+)*Br(1-) In acetonitrile Irradiation; further benzophenone derivatives, salt effect; | ||
With 2,2'-azobis(isobutyronitrile); oxygen; lithium chloride In hydrogenchloride at 60℃; for 0.333333h; initiator or inhibitor of the oxidation, different solvents, 80 deg C; | ||
With oxygen; copper dichloride In ethanol at 50℃; for 1h; in the presence of LiCl; in the presence of CuCl and HCl; |
With hydrogenchloride; oxygen In ethanol Heating; Yield given; | ||
With oxygen; copper dichloride In ethanol at 50℃; | ||
With hydrogenchloride; lead dioxide |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With hydrogenchloride Geschwindigkeit der Bildung; | ||
In water |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With sulfuric acid; nitric acid at 60 - 70℃; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
94% | With hydrogenchloride In water |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With water at 30℃; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With ammonium sulfide at 120℃; im Druckrohr; | ||
With ethanol; sodium hydrogensulfite; zinc | ||
With benzophenone; 1,1-Diphenylmethanol In acetonitrile Irradiation; other hydrogen donor: 2-propanol; various educt/reagent concentrations; |
With lithium aluminium tetrahydride; water In tetrahydrofuran | ||
With phosphate buffer; bovine serum albumin at 20℃; Irradiation; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With sodium hydroxide; water | ||
With alkali in Gegenwart von Neuralsalzen zwischen 25grad und 40grad; | ||
With phosphoric acid; sulfuric acid In water at 210℃; for 0.5h; | 3 The synthesis of 3,6-bis-dimethylamino-9-(4-dimethylamino-phenyl)-fluoren-9-ylium (R-CV+) was carried out as originally proposed in U.S. Pat. No. 3,344,189, which is incorporated herein by reference. Initially, 1.48 g (3.6 μmol) of crystal violet was dissolved in 29 ml of aqueous 85% H2SO4 and 1% phosphoric acid and the reaction mixture slowly heated and kept at 210° C. for 30 minutes. The reaction mixture was subsequently cooled to room temperature, poured onto the ice, and then partially neutralized (to pH 3) with 1 M aqueous ammonium hydroxide. Sodium hydrosulfite (10 mmol) was subsequently added to reduce the dye to its leuco form, and the reaction mixture neutralized (pH 7) with NH4OH. The precipitate formed in this step was filtered, washed with water, and dried. Subsequently, this precipitate was dissolved in hot toluene and the solution filtered in activated carbon. The removal of the solvent by roto-evaporation produced 0.45 g of partially purified leuco intermediate. This intermediate was subsequently oxidized with 0.3 g of lead peroxide in 50 ml of glacial acetic acid, and with the addition of sulfuric acid to this solution lead was precipitated as lead sulfate and removed by filtration. The filtered solution was finally neutralized with ammonium hydroxide, and the solvent removed by roto-evaporation. The targeted dye was then purified using the same column chromatography/HPLC method described above for the cases of CV+-Br and MV2B+-Br, but with smaller (2 cm×7 cm) NaCl-equilibrated silica gel columns. |
With sodium hydroxide In 2,2,4-trimethylpentane; water at 24.84℃; | ||
With sodium hydroxide at 25℃; | ||
With potassium hydroxide In ethanol; water | ||
With water; sodium hydroxide | ||
With sodium hydroxide In water at 25℃; | Rate constant of the reaction in water The rate constant of interaction between crystal violet and hydroxideion determined in the present work at 25 °C in aqueous solution without surfactant equals 0.157 M-1 s-1. This value is in good agreementwith a number of previously reported values given in Table 1. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With chloroform; ammonia | ||
With ammonia; acetic acid |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With hydrogenchloride | ||
With sodium hydroxide; dihydrogen peroxide |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With aluminium trichloride at 100 - 110℃; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With zinc(II) chloride at 50℃; | ||
With aluminium trichloride at 20 - 30℃; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With aluminium trichloride | ||
With zinc(II) chloride | ||
With aluminium trichloride |
With zinc(II) chloride |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With zinc In acetonitrile |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With lithium aluminium deuteride; water In tetrahydrofuran |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With Collins oxidation agent |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With sulfuric acid at 140℃; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With sulfuric acid at 60℃; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Stage #1: crystal violet; bovine serum albumin In phosphate buffer at 20℃; Irradiation; Stage #2: In phosphate buffer at 20℃; Photolysis; Title compound not separated from byproducts; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
1: 21% 2: 70% | With bentonitic clay for 1h; Microwave irradiation; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
1: 34% 2: 19% 3: 36% | With bentonitic clay for 0.416667h; Microwave irradiation; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
25% | In dichloromethane for 0.0833333h; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
86% | With aniline hydrochloride at 90℃; for 0.05h; Irradiation; | |
80% | Stage #1: <i>N</i>,<i>N</i>-dimethyl-aniline; 4-dimethylamino-benzaldehyde With acetic acid at 100℃; for 8h; Inert atmosphere; Stage #2: With chloranil; sodium nitrite In acetic acid at 50℃; for 12h; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
1: 35% 2: 58% | Stage #1: bis(p-dimethylaminophenyl)methanone With potassium In tetrahydrofuran Stage #2: aniline In tetrahydrofuran for 24h; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 2 steps 1: 1)LiAlH4, 2) H2O / tetrahydrofuran 2: CH2Cl2 / Ambient temperature; overnight |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With dihydrogen peroxide Aqueous phophate buffer; Enzymatic reaction; | 2 N,N,N',N',N-pentamethylpararosaniline, N,N,N',N'-tetramethylpararosaniline, and N,N',N-trimethylpararosaniline were prepared through the sequential oxidative N-dealkylation of CV+ catalyzed by HRP. A description of this process may be found in Gadelha, et al., Chem-Biol. Interact, 85, 35-38 (1992), which is incorporated herein by reference. One of the major advantages of using this strategy is that, unlike chemical methods, the HRP-catalyzed reaction generates mostly selected isomers as reaction products. That is, while the reaction efficiently generates N,N,N',N-tetramethylpararosaniline and N,N',N-trimethylpararosaniline, it does not generate N,N,N',N∝-tetramethylpararosaniline and N,N',N'-trimethylpararosaniline in any significant (detectable) extent. The absence of isomers in the final reaction media facilitates the purification of the reaction products to the level required for a more detailed analysis of structure-activity relationships in in vitro assays. Typically, HRP (0.085 μM) and hydrogen peroxide (20.4 mg, 600 μmol) were sequentially added to a solution of Crystal Violet (60 mg, 147.1 μmol) in 500 mL of 10 mM sodium phosphate buffer pH 7.3. The reaction mixture was kept in the dark under continuous magnetic stirring and the reaction progress monitored by HPLC (reversed phase C18 column; 90% Acetonitrile:10% 50 mM aqueous Perchloric Acid as eluent, UV/Vis analysis at 550 nm and 280 nm). After the reaction was complete, the reaction products were extracted from the aqueous media with 250 mL of n-butanol, the solvent removed by roto-evaporation, and the dyes of interest isolated by reduced pressure chromatography using columns packed with pre-treated silica gel. The chromatography procedure was performed as follows: 100 grams of 230-400 mesh Merck grade 9385 SiO2 were washed with 250 ml of 1 M NaCl solution and subsequently filtered through a glass Buchner funnel under reduced vacuum. This pre-treated, water-deactivated, NaCl-equilibrated SiO2 was then made into a slurry with 2-propanol and packed into 1.5 cm-diameter columns under reduced pressure (ca. 5-8 psi). The dye mixtures were dissolved in 2-propanol and the columns run under reduced pressure using this solvent as the mobile phase. The dye fractions (concentrated under vacuum) were subsequently analyzed by HPLC, and those containing highly purified dyes (>98% pure) were combined and dried under vacuum before storage under nitrogen in the dark. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With bromine In methanol at 20℃; | 3 The chloride salts of 3'-bromocrystal violet (CV+-Br), 3'-bromomethyl violet 2B (MV2B+-Br), and 3-bromobasic fuchsin (BF+-Br) were synthesized via treatment of the respective parent dye with molecular bromine. To this end, typically 10-40 μM solutions of bromine in methanol were slowly added to 10-20 μM dye solutions also prepared in methanol and kept at room temperature under continuous magnetic stirring, and the reaction progress monitored by HPLC (reversed phase C18 column; 90% acetonitrile-10% 50 mM aqueous perchloric acid used as eluent for the cases of CV+-Br and MV2B+-Br, and 70% acetonitrile-30% 20 mM aqueous ammonium chloride used as eluent for the case of BF+-Br). Crystal violet (>98% pure) and basic fuchsin (>98% pure) were used as received from the suppliers, while methyl violet 2B (40% pure) was purified by column chromatography before use. This chromatographic procedure was performed as follows: 100 grams of 230-400 mesh Merck grade 9385 SiO2 were washed twice with 250 ml of 1 M NaCl solution and subsequently filtered through a glass Buchner funnel under reduced vacuum. This pre-treated, water-deactivated, NaCl-equilibrated SiO2 was then made into a slurry with propan-2-ol and packed into 1.5 cm-diameter columns under reduced pressure (ca. 5-8 psi). The dye mixtures were dissolved in propan-2-ol and the columns run under reduced pressure using this solvent as the mobile phase. The dye fractions (concentrated under vacuum) were subsequently analyzed by HPLC, and those containing highly purified dyes (>98% pure) were combined and dried under vacuum before storage under nitrogen in the dark. Analogously, the final products of the bromination reactions were dried through roto-evaporation and purified using column chromatography. The purification of CV+-Br and MV2B+-Br was carried out using the same column and solvent system described above for the purification of commercially available MV2B+. BF+-Br was purified using activated SiO2 columns slurry packed and run in 80% chloroform-20% methanol under gravity. The dye fractions (concentrated under vacuum) were subsequently analyzed by HPLC, and those containing highly purified targeted monobrominated dyes (>98% pure) were combined and dried under vacuum before storage under nitrogen in the dark. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
68% | Stage #1: Methyl p-tolyl sulfoxide With lithium diisopropyl amide In tetrahydrofuran; hexane at 0℃; for 0.5h; Stage #2: crystal violet In tetrahydrofuran; hexane at 0 - 20℃; for 14h; Further stages.; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
89% | Stage #1: C30H34N6O9S2 With sodium acetate In water at 96℃; for 1h; Stage #2: With copper(II) sulfate at 96℃; for 1h; Stage #3: crystal violet In ethanol; water at 20 - 45℃; for 2h; | 1.c 6.2 parts of the bisazo dyestuffs of part b) above are suspended in 100 parts of water and 2.5 parts of sodium acetate. After warming at 96°C for over one hour, a solution of 2.3 parts of copper sulphate in 15.0 parts of water are added for over one hour, whereupon a voluminous suspension of the copper complex results. The temperature is allowed to fall to 45°C over 2 hours (while stirring well) and the suspension is slowly reacted with a solution of 3.7 parts of {4-[bis-(4-dimethylamino-phenyl)-methylene]-cyclohexa-2,5-dienylidene}-dimethylammonium chloride (e.g. commercial product known as crystal violet) in 75 parts of ethanol. The resulting precipitate is stirred a further hour at room temperature, filtered and the residue is washed salt free with deionised water and dried. A compound (9.1g) of formula (1) is obtained. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
92% | Stage #1: C27H27N5O8S2 With ammonia; copper(II) sulfate In water; 2,2'-iminobis[ethanol] at 98℃; for 4h; Heating / reflux; Stage #2: crystal violet In ethanol; water; 2,2'-iminobis[ethanol] at 20 - 25℃; | 2.b 4.3 parts of the bisazo dyestuffs of part a) above are stirred into 100 parts of water and 1.7 parts of diethanolamine. It is heated to 98°C before slowly adding a slurry made from 1.8 parts of copper sulphate, 2.8 parts of water and 2.8 parts of 25% ammonia heated to 60°C. The reaction mixture is heated to reflux for 4 hours whereupon a dark red solution of the copper complex results. The reaction mixture is cooled down to 25°C and is reacted with a solution of 5.7 parts of {4-[bis-(4-dimethylamino-phenyl)-methylene]-cyclohexa-2,5-dienylidene}-dimethylammonium chloride (e.g. commercial product known as crystal violet) in 115 parts of ethanol. The resulting precipitate is stirred a further hour at room temperature, filtered and the residue is washed salt free with deionised water and dried.. A compound (9.0g) of formula (2) is obtained. Yield: 92%; Decomp. point (DSC; sharp): 230°C; UV-Vis (EtOH) λmax: 586 nm;ε (λmax): 148800 l.mol-1.cm-1 |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
In ammonia; water |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
88% | In acetic anhydride; N,N-dimethyl-formamide heating soln. of tungsten compd. in acetic anhydride and dmf (7.5/5.5) at 100-105°C for 3 h, addn. of acetic anhydride, aq. HCl and dmf, stirring, hot filtration, cooling to room temp., filtration, addn. of crystal violet salt in methanol; filtration, washing twice with methanol by shaking for 20 min and centrifugation at 5000 rpm for 15 min, filtration, washing with ethanol and diethyl ether, elem. anal.; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
45% | In hydrogenchloride addn. of aq. HCl to q. soln. of molybdenum compd., addn. of soln. of crystal violet salt in aq. HCl, heating at 85°C for 1 h; collecting crystals, washing twice with methanol by shaking for 20 min and centrifugation at 5000 rpm for 15 min, filtration, washing with ethanol and ether, elem. anal.; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
85% | In water; acetonitrile at 20℃; for 24h; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With 2O4S(2-)*Fe(2+); dihydrogen peroxide In aq. buffer at 20℃; for 0.0833333h; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With water at 29.84℃; UV-irradiation; | ||
With water for 1h; Irradiation; | ||
With zinc oxide nanoparticles deposited on Si substrate for 2h; UV-irradiation; |
With water for 0.833333h; Irradiation; | ||
With isopropyl alcohol; p-benzoquinone In water UV-irradiation; | ||
With La0.76Co0.24Cr0.76Fe0.24O3 on 5% reduced-graphene oxide nanocomposite for 0.5h; UV-irradiation; | 3.9. Photocatalytic degradation of dye The PCA of LaCrO3, doped La1-xCoxCr1-yFeyO3 and La1-xCoxCr1-yFeyO3/r-GO nanocomposite was investigated by degrading the CVdye under visible light. The recorded UV-visible absorption spectraof the dye are shown in Fig. 7(a-c). The degradation efficiency ofthe pristine LaCrO3, doped La1-xCoxCr1-yFeyO3 and La1-xCoxCr1-yFeyO3/r-GO nanocomposite are explained in term of Ct/C asshown in Fig. 8a, where C express the initial concentration of theCV dye and Ct, express the concentration at a specific time interval. | |
With water; 2C3H7NO*C12H10N2*C6H2O5(2-)*Zn(2+) at 25℃; for 2h; UV-irradiation; Green chemistry; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
37% | In water for 0.166667h; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
92% | With potassium iodide In dichloromethane; water at 20℃; for 4h; | |
88% | With Amberlite CG-400 ion exchange resin iodide form In ethanol | 4.4 Exchange of chloride counter anion in crystal violet by bromide or iodide General procedure: Crystal violet (0.60g, 1.5mmol) was dissolved in EtOH (3ml) and the solution was passed through a column filled with Amberlite CG-400 ion exchange resin in its iodide or bromide form. Then, the resin was flushed with a water/EtOH solvent mixture. The solution was evaporated and the residue dried in vacuo. Crystal violet bromide (0.58g, 1.3mmol) was obtained in 87% yield. No chloride was detected in the product by X-ray fluorescence. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
31.2 g | Stage #1: crystal violet at 75℃; for 2h; Stage #2: C34H26N6O8S2(2-)*2Na(1+) In water at 75℃; for 2h; | B-3 Comparative Preparation Example B-3 1170 g of water was added to a 2 L beaker, heated to 75 ° C., 20.0 g of triphenylmethane basic dye Basic Violet 3 hydrochloride (iron content 53 ppm) was gradually added thereto and dissolved for 2 hours (PH = 2.5) and filtered to give solution-A. 280 g of water was placed in a separate 1 L beaker and heated to 75 ° C., 18.8 g of C.I. I. Acid Yellow 42 was slowly added thereto and dissolved for 2 hours. To this solution, 1.6 g of sodium carbonate was added to adjust the pH to 10.5 and then filtered to obtain solution-B. The solution-A and the solution-B were heated to 50 ° C., the solution-B was added dropwise to the solution-A over 20 minutes and the reaction was carried out at 50 ° C. for 1 hour (pH = 7.1). After heating to 71 ° C., it was cooled to 30 ° C., after filtration, washed with water until the electric conductivity reached 960 μS / cm. Thereafter, it was dried at 50 ° C. for 3 days in a shelf type warm air dryer to obtain a comparative salt forming dye B-3 (yield = 31.2 g). The content of total chlorine in the obtained comparative salt forming dye B-3 was measured in the same manner as in the salt forming dye A-1, and found to be 1120 ppm. When the content of iron was measured, it was 31 ppm. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
In acetone at 20℃; for 3h; | 3 Production Example 3: Preparation of Sample 3 General procedure: Was prepared in substantially the same manner as in Production Example 1, except that lithium trifluoromethanesulfonate (LiSO3CF3) was used instead of lithium bis (trifluoromethanesulfonyl) imide [Li (CF3SO2) 2N] Method 3 (CV-SO3CF3) was obtained. Was prepared in substantially the same manner as in Production Example 1, except that lithium trifluoromethanesulfonate (LiSO3CF3) was used instead of lithium bis (trifluoromethanesulfonyl) imide [Li (CF3SO2) 2N] Method 3 (CV-SO3CF3) was obtained.0.0005 mol (0.2 g) of crystal violet (Methyl violet 10B, anhydrous basis, purchased from Aldrich), which is an ionic dye containing chloride ion (Cl-), and lithium bis (trifluoromethanesulfonyl) imide (trifluoromethanesulfonyl) imide, 0.002 mol (0.57 g) of Li (CF3SO2) 2N] was added to 20 mL of acetone, and the mixture was stirred at room temperature for 3 hours. 100 mL of dichloromethane was added to the stirred mixture, and the mixture was stirred for 30 minutes. Then, 100 mL of distilled water was added to wash excess ions, and washing with distilled water was repeated three times. After the washing step, 3 g of magnesium sulfate (MgSO4) was added to remove moisture. After filtration, sample 1 (CV-N (SO2CF3) 2) was obtained (0.22 g, yield 60%) after evaporation of the solvent using a rotary evaporator |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With sodium hexaflorophosphate In acetone at 20℃; for 3h; | 2 Production Example 2: Preparation of Sample 2 General procedure: Sodium hexafluorophosphate (NaPF6) was used in place of lithium bis (trifluoromethanesulfonyl) imide [Li (CF3SO2) 2N] in Production Example 1,(CV-PF6) was obtained in substantially the same manner as in Production Example 1. 0.0005 mol (0.2 g) of crystal violet (Methyl violet 10B, anhydrous basis, purchased from Aldrich), which is an ionic dye containing chloride ion (Cl-), and lithium bis (trifluoromethanesulfonyl) imide (trifluoromethanesulfonyl) imide, 0.002 mol (0.57 g) of Li (CF3SO2) 2N] was added to 20 mL of acetone, and the mixture was stirred at room temperature for 3 hours. 100 mL of dichloromethane was added to the stirred mixture, and the mixture was stirred for 30 minutes. Then, 100 mL of distilled water was added to wash excess ions, and washing with distilled water was repeated three times. After the washing step, 3 g of magnesium sulfate (MgSO4) was added to remove moisture. After filtration, sample 1 (CV-N (SO2CF3) 2) was obtained (0.22 g, yield 60%) after evaporation of the solvent using a rotary evaporator |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
60% | In acetone at 20℃; for 3h; | 1 Production Example 1: Preparation of Sample 1 0.0005 mol (0.2 g) of crystal violet (Methyl violet 10B, anhydrous basis, purchased from Aldrich), which is an ionic dye containing chloride ion (Cl-), and lithium bis (trifluoromethanesulfonyl) imide (trifluoromethanesulfonyl) imide, 0.002 mol (0.57 g) of Li (CF3SO2) 2N] was added to 20 mL of acetone, and the mixture was stirred at room temperature for 3 hours. 100 mL of dichloromethane was added to the stirred mixture, and the mixture was stirred for 30 minutes. Then, 100 mL of distilled water was added to wash excess ions, and washing with distilled water was repeated three times. After the washing step, 3 g of magnesium sulfate (MgSO4) was added to remove moisture. After filtration, sample 1 (CV-N (SO2CF3) 2) was obtained (0.22 g, yield 60%) after evaporation of the solvent using a rotary evaporator |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
95.7% | With hydrogenchloride; chloranil; In ethanol; water; at 65℃; for 5h; | In a 250 mL reaction flask equipped with a thermometer, a reflux condenser, and a magnetic stirrer, put26.66g (0.11mol) of N,N'-dimethylaniline, 50.87g (0.1mol) of 4,4'-bis (N, N'-dimethyl)diphenylmethane (methane bass), anhydrous 100mL of ethanol, 1.0g of Salprn cobalt complex, 1.5g of tetrachlorobenzoquinone, 5mL of concentrated hydrochloric acid, heated to 65 C with stirring, oxygen flow, 15mL / min, and reaction for 5 hours Sampling and analysis by HPLC, the conversion of methane bass reaction was complete, the reaction was stopped, ethanol was distilled off, 50 mL of water and 10 mL of concentrated hydrochloric acid were added, heated to 75 C, filtered, the filtrate was cooled to room temperature, crystallized, and filtered to obtain crystals with metallic luster After weighing, 78.1g, the yield was 95.7%. The characterization results are as follows: |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
67% | at 80℃; for 24h; | 2.3. Synthesis Crystals of (CV){SnCl2Pc}0.4C6H4Cl2 (1) were obtained via theinteraction of SnII(Pc2-) (26.6 mg, 0.042 mmol) with 2 equivalents ofCrystal violet (CV+)(Cl-) (34 mg, 0.084 mmol) in 16 mL of C6H4Cl2upon stirring during 24 h at 80 °C. The color of the solution becamedeep blue and SnII(Pc2-) was completely dissolved. The obtained solutionwas cooled down to the room temperature and filtered into thetube for diffusion. The reaction mixture was filtered into a 1.8-cmdiameter,50 mL glass tube with a ground glass plug, and then 30 mL ofn-hexane was layered over the solution. Slow mixing of the solutionsover 1 month resulted in precipitation of good quality crystals withbright gold luster. The solvent was then decanted from the crystals, andthey were washed with n-hexane. Black blocks of 1 were obtained in67% yield. The composition of the obtained compound was determinedfrom X-ray diffraction analysis on a single crystal. Several crystals fromone synthesis were found to consist of a single crystalline phase.Elemental analysis supports the composition of 1:C59.43H47.62Cl2.81N11Sn, Mr=1134.32, Calculated, %: C=62.87;H=4.20; Sn=10.47; N=13.58; Cl=8.79. Found, %: C=62.41;H=3.87; N=13.34; Cl=8.92. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
72% | at 80℃; for 24h; | 2.3. Synthesis Crystals of (CV){FeCl2Pc}0.5C6H4Cl2 (2) were obtained via theinteraction of FeIIICl(Pc2-) (25.2 mg, 0.042 mmol) with one equivalentof Crystal violet (CV+)(Cl-) (17 mg, 0.084 mmol) in 16 mL of C6H4Cl2upon stirring during 24 h at 80 °C. The color of the solution becamedeep blue and FeIIICl(Pc2-) is completely dissolved. The obtained solutionwas cooled down to the room temperature and filtered into thetube for diffusion. The reaction mixture was filtered into a 1.8-cmdiameter,50 mL glass tube with a ground glass plug, and then 30 mL ofn-hexane was layered over the solution. Slow mixing of the solutionsover 1 month precipitates good quality crystals with bright gold luster.The solvent was then decanted from the crystals, and they were washed with n-hexane. Black blocks of 2 were obtained in 72% yield. Thecomposition of the obtained compound was determined from X-raydiffraction analysis on a single crystal. Several crystals from onesynthesis were found to consist of a single crystalline phase. Elementalanalysis supports the composition of 2: C60H48Cl3FeN11, Mr=1085.29,Calculated, %: C=66.34; H=4.44; Fe=5.18; N=14.18; Cl=9.86.Found, %: C=66.02; H=3.93; N=13.98; Cl=9.45. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
72% | With erbium In 1,2-dichloro-benzene at 80℃; for 24h; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
87% | With Amberlite CG-400 ion exchange resin bromide form In ethanol | 4.4 Exchange of chloride counter anion in crystal violet by bromide or iodide General procedure: Crystal violet (0.60g, 1.5mmol) was dissolved in EtOH (3ml) and the solution was passed through a column filled with Amberlite CG-400 ion exchange resin in its iodide or bromide form. Then, the resin was flushed with a water/EtOH solvent mixture. The solution was evaporated and the residue dried in vacuo. Crystal violet bromide (0.58g, 1.3mmol) was obtained in 87% yield. No chloride was detected in the product by X-ray fluorescence. Found: C, 64.2; H, 6.7; N, 9.1; Br, 16.7. C25H30N3Br.H2O requires C, 63.8; H, 6.8; N, 8.9; Br, 16.9%; mp 120-122 FontWeight="Bold" FontSize="10" ; IR (KBr) =2919, 2854, 2806, 1584, 1362, 1172cm-1; δH (CDCl3) 7.20 (dJ 9.1Hz, 6H), 6.73 (dJ 9.1Hz, 6H), 3.20 (s, 18H); δC (CDCl3) 178.1, 155.5, 139.7, 126.5, 112.4, 40.7; HRMS: found m/z 372.2436; calculated for C25H30N3 [M]+ 372.2434. (0028) Crystal violet iodide [4b] (0.65g, 1.3mmol) was obtained in 88% yield. No chloride was detected in the product by X-ray fluorescence. Found: C, 60.0; H, 6.2; N, 8.4; I, 25.3. C25H30N3I requires C, 60.1; H, 6.0; N, 8.4; I, 25.4%; mp 192-194 FontWeight="Bold" FontSize="10" ; IR (KBr) =2913, 2852, 2808, 1582, 1368, 1174cm-1; δH (CDCl3) 7.27 (dJ 9.0Hz, 6H), 6.82 (dJ 9.0Hz, 6H), 3.24 (s, 18H); δC (CDCl3) 178.1, 155.5, 139.6, 126.5, 112.4, 40.7; HRMS: found m/z 372.2436; calculated for C25H30N3 [M]+ 372.2434. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
48% | at 80℃; for 48h; Glovebox; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
38% | at 80℃; for 48h; Glovebox; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
62% | at 80℃; | {CV+}[HIndigo(CoIICl2)] C6H4Cl2 (2) was obtained by interactionof 11 mg of indigo (0.043 mmol) in the presence of one equivalent ofCV+Cl (17 mg, 0.043 mmol) and an excess of cobalt powder (80 mg) in16 mL of o-dichlorobenzene. Reaction mixture was stirred overnight at80 C and the obtained solution was cooled down to room temperature.Deep red-blue solution characteristic of CV+ was formed. The crystals of2 were obtained by the above mentioned procedure as black prisms withcharacteristic gold luster in 62% yield. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
In lithium hydroxide monohydrate at 25℃; |
Tags: 548-62-9 synthesis path| 548-62-9 SDS| 548-62-9 COA| 548-62-9 purity| 548-62-9 application| 548-62-9 NMR| 548-62-9 COA| 548-62-9 structure
A1325827[ 7438-46-2 ]
N-(4-(bis(4-(dimethylamino)phenyl)methylene)cyclohexa-2,5-dien-1-ylidene)-N-methylmethanaminium
Reason: Free-Salt
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Health hazards | |
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H316 | Causes mild skin irritation |
H317 | May cause an allergic skin reaction |
H318 | Causes serious eye damage |
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H351 | Suspected of causing cancer |
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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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