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[ CAS No. 6590-93-8 ] {[proInfo.proName]}

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Chemical Structure| 6590-93-8
Chemical Structure| 6590-93-8
Structure of 6590-93-8 * Storage: {[proInfo.prStorage]}
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Product Details of [ 6590-93-8 ]

CAS No. :6590-93-8 MDL No. :MFCD00041072
Formula : C7H3Cl2NS Boiling Point : -
Linear Structure Formula :- InChI Key :-
M.W : 204.08 Pubchem ID :-
Synonyms :

Safety of [ 6590-93-8 ]

Signal Word:Danger Class:8
Precautionary Statements:P280-P301+P330+P331-P302+P352-P304+P340-P305+P351+P338-P310 UN#:3261
Hazard Statements:H314 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 6590-93-8 ]

* 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 [ 6590-93-8 ]

[ 6590-93-8 ] Synthesis Path-Downstream   1~17

  • 1
  • [ 463-71-8 ]
  • [ 626-43-7 ]
  • [ 6590-93-8 ]
YieldReaction ConditionsOperation in experiment
72.1% With sodium hydrogencarbonate; In dichloromethane; water; at 0 - 20℃; for 2h; 3,5-dichloroaniline 20 g (0.32 mol) was dissolved in CH2Cl2 (150 mL) and sat. aq. NaHCO3 (50 mL) was added. The resulting biphasic solution was cooled to 0 C. and thiophosgene (0.38 mol) was then carefully added via syringe. After the addition was completed, the reaction was allowed to warm to room temperature and stirred for 2 h. The organic layer was separated and dried over Na2SO4. The filtrate was concentrated under reduced pressure to afford title compound 47.1 g as a yellow oil, yield: 72.1%.
  • 3
  • [ 1851-09-8 ]
  • [ 6590-93-8 ]
  • [ 74-88-4 ]
  • 2-(4-chlorophenylsulfonyl)-3-(3,5-dichlorophenylamino)-3-methylsulfanylacrylonitrile [ No CAS ]
YieldReaction ConditionsOperation in experiment
86% Stage #1: 2-(4-chlorobenzenesulfonyl)acetonitrile; 3,5-dichlorophenylisothiocyanate With potassium carbonate In acetone at 20℃; for 17h; Stage #2: methyl iodide In acetone at 20℃; for 0.75h;
1.42 g (72%) With potassium carbonate In acetone 7.1 1 1 2-(4-Chlorophenylsulfonyl)-3-(3,5-dichlorophenylamino)-3-methylsulfanyl-2-propenenitrile To a solution of 4-chlorophenylsulfonylacetonitrile (1.00 g, 4.6 mmol) in dry acetone (10 ml) first dry potassium carbonate (1.28 g, 9.3 mmol) and then 3,5-dichlorophenyl isothiocyanate (0.99 g, 4.9 mmol) were added. The resulting mixture was stirred at room temperature under nitrogen for 4 h, and then filtered. To the filtrate methyl iodide (0.86 ml, 13.9 mmol) was added. The mixture was stirred at room temperature for 45 min.. Then pH was adjusted to 1 with 1N aqueous HCl. The precipitate was filtered off and washed with water to give 1.86 g (93%) of a crude product. Recrystallisation from ethyl acetate/heptane (1:1) gave 1.42 g (72%) of the title compound contaminated with 4-chlorophenylsulfonylacetonitrile. Mp 128-131° C. 1H NMR (200 MHz, CDCl3): δ=2.25 (s, 3H), 7.20 (d, 2H), 7.30 (t, 1H), 7.55 (d, 2H), 7.85 (d, 2H), 9.80 (br s, 1H); El SP/MS: 434 (M+), 436 (M+2).
  • 4
  • [ 498-62-4 ]
  • [ 6590-93-8 ]
  • [ 171778-06-6 ]
  • 2-[2-(3,5-dichloro-phenylamino)-3-thiophen-3-ylmethyl-3,4-dihydro-quinazolin-4-yl]-acetamide [ No CAS ]
YieldReaction ConditionsOperation in experiment
64% Multistep reaction.;
  • 5
  • [ 154590-66-6 ]
  • [ 6590-93-8 ]
  • <i>N</i>-(3-{4-[4-(3,5-dichloro-phenylthiocarbamoyl)-piperazin-1-yl]-3-fluoro-phenyl}-2-oxo-oxazolidin-5-ylmethyl)-acetamide [ No CAS ]
  • 6
  • [ 5344-44-5 ]
  • [ 6590-93-8 ]
  • 7
  • [ 618-62-2 ]
  • [ 6590-93-8 ]
  • 8
  • [ 18257-46-0 ]
  • [ 6590-93-8 ]
  • 1-(3,5-Dichlorophenyl)-3-(pentanimidoyl)-2-thiourea [ No CAS ]
YieldReaction ConditionsOperation in experiment
With sodium methylate; In ethanol; EXAMPLE 67 1-(3,5-Dichlorophenyl)-3-(pentanimidoyl)-2-thiourea Following a procedure similar to that described in Example 65 but using 5.4 g. of sodium methoxide in 100 ml. of absolute ethyl alcohol, 13.6 g. of valeramidine hydrochloride and 20.4 g. of 3,5-dichlorophenyl isothiocyanate, there was obtained, after recrystallization from isopropyl alcohol, 12.6 g. of 1-(3,5-dichlorophenyl)-3-(pentanimidoyl)-2-thiourea hydrochloride; m.p. 144-146C.
  • 9
  • [ 120-35-4 ]
  • [ 6590-93-8 ]
  • 3-[3-(3,5-dichlorophenyl)-thioureido]-4-methoxy-N-phenyl-benzamide [ No CAS ]
YieldReaction ConditionsOperation in experiment
In ethyl acetate; Example 60 3-[3-(3,5-Dichlorophenyl)-thioureido]-4-methoxy-N-phenyl-benzamide A mixture of 3-amino-4-methoxy-N-phenyl-benzamide (0.277 g, 1.14 mmol) and 3,5-dichlorophenyl isothiocyanate (0.238 g, 1.17 mmol) in ethyl acetate (30 mL) was warmed until a solution was obtained, then allowed to stand at room temperature for 3 days. The reaction was concentrated until a crystalline precipitate was obtained then allowed to stand overnight at room temperature. The solid was collected by filtration, rinsed with ethyl acetate/hexane, and dried to afford the product (0.423 g); m.p. 195-197 C. Calculated for C21H17Cl2N3O2S: C, 56.51; H, 3.84; N, 9.41. Found: C, 56.20; H, 3.69; N, 9.28.
  • 10
  • [ 6590-93-8 ]
  • [ 536755-29-0 ]
  • [ 1009105-58-1 ]
  • 11
  • [ 1851-09-8 ]
  • [ 6590-93-8 ]
  • [ 74-88-4 ]
  • [ 268207-25-6 ]
YieldReaction ConditionsOperation in experiment
72% Stage #1: 2-(4-chlorobenzenesulfonyl)acetonitrile; 3,5-dichlorophenylisothiocyanate With potassium carbonate In acetone at 20℃; for 4h; Stage #2: methyl iodide In acetone at 20℃; for 0.75h;
  • 12
  • [ 6590-93-8 ]
  • [ 1673-47-8 ]
  • [ 891643-25-7 ]
YieldReaction ConditionsOperation in experiment
84% In ethanol for 0.0333333h; Reflux; 2.1.1. Synthesis of the Investigated Compounds General procedure: A synthesis pathway to compounds 1-16 is presented in Scheme 1. A solution of 0.01 mol of 3-chlorobenzhydrazide and equimolar amount of appropriate aryl isothiocyanate in 25 ml of anhydrous EtOH were heated under reflux for 2 - 10 min (details are given below). Next, the ethanolic solution was cooled and the solid formed was filtered off, washed with diethyl ether, dried, and recrystallized from EtOH. Reaction yields ranged from 74 to 96%. Structure of the synthesized compounds was corroborated by 1H NMR and IR spectra. The spectral data fully confirm the structures suggested for compounds 1-16. The 1H NMR spectra of the obtained compounds showed the signals of aromatic protons in the range of 6.89-8.01 ppm while the signals of the proton linked to N1-N2 and N3 nitrogens were shown at 9.46-10.76 ppm.
In ethanol for 0.0833333h; Reflux;
In ethanol
  • 14
  • [ 5650-51-1 ]
  • [ 6590-93-8 ]
  • [ 1469857-60-0 ]
YieldReaction ConditionsOperation in experiment
30% Stage #1: 5,6-dihydro-<6H>-cyclopenta-<b>-thiophene-4-one; 3,5-dichlorophenylisothiocyanate With lithium hexamethyldisilazane In tetrahydrofuran at 20℃; for 8h; Stage #2: With hydrazine hydrate; acetic acid In tetrahydrofuran for 24h; Reflux; 49 Example 49 (3,5-dichlorophenyl)(4,7-dihydro-1-thia-4,5-diazacyclopenta[a]pentalen-6-yl)amine A mixture of 5,6-Dihydro-cyclopenta[b]thiophen-4-one (1.0 g, 7.4 mmol) and 1,3-Dichloro-5-isothiocyanato-benzene (1.2 g, 7.4 mmol) in THF (2.0 mL) was added to lithium hexamethyl disilane (7.0 mL, 7.2 mmol) dropwise at room temperature. The reaction mixture was stirred for 8 hr. Hydrazine monohydrate (0.4 mL, 7.9 mmol) and glacial acetic acid (0.5 mL) were added to the reaction mixture, which was then heated at the reflux temperature for 24 hr. The resulting mixture was added to water (30 mL) and then extracted with ethyl acetate. The target product was purified by gravity column chromatography (50% EtOAc in hexane) to give (3,5-Dichloro-phenyl)-(4,7-dihydro-1-thia-4,5-diaza-cyclopenta[a]pentalen-6-yl)-amine as brown solid in 30% yield. [0296] MS (ESI) m/z: 323.0 (M+H)+. 1H NMR (CDCl3): 7.28 (d, 1H), 7.04 (d, 1H), 6.89 (s, 3H), 3.02 (s, 2H).
30% Stage #1: 5,6-dihydro-<6H>-cyclopenta-<b>-thiophene-4-one; 3,5-dichlorophenylisothiocyanate With lithium hexamethyldisilazane In tetrahydrofuran at 20℃; for 8h; Stage #2: With hydrazine hydrate; acetic acid In tetrahydrofuran; water for 24h; Reflux; 49 Example 49(3,5-dichloro-phenyl) - (4,7-dihydro-1-thia-4,5-diazo-cyclopentadienyl [a] cyclopentadien-6-yl)amine Example 49(4,5-dichloro-phenyl) - (4,7-dihydro-1-thia-4,5-diazo-cyclopentadienyl [a] amine A solution of 5,6-dihydro-cyclopenta [b] thiophen-4-one (1.0 g, 7.4 mmol) in THF (2.0 mL) and 1,3-dichloro-5-isothiocyanato -benzene (1.2 g, 7.4 mmol) was added dropwise at room temperature hexamethyldisilane (7.0 mL, 7.2 mmol). The reaction mixture was stirred for 8 hours. Aqueous monohydrate (0.4 mL, 7.9 mmol) and glacial acetic acid (0.5 mL) were added to the reaction mixture and heated at reflux temperature for 24 hours. The product mixture was added to water (30 mL) and extracted with ethyl acetate. Purification by gravity column chromatography (50% EtOAc in hexanes) afforded the title product as a brown solid (3,5-dichloro-phenyl) - (4,7-dihydro-1, Diazo-cyclopentadienyl [a] cyclopentan-6-yl) -amine in 30% yield.
  • 15
  • [ 51940-44-4 ]
  • [ 6590-93-8 ]
  • [ 696639-56-2 ]
YieldReaction ConditionsOperation in experiment
71% With sodium hydrogencarbonate In N,N-dimethyl-formamide at 20℃; Inert atmosphere; General Procedure A5: Thiourea/urea formation from quinolone analogues General procedure: To an oven-dried round bottom flask flushed with argon for 10 min was added the respective quinolone analogue (250 mg, 1 eq), dry DMF (40 mL), NaHCO3 (1.2 eq) and the corresponding isothiocyanate or isocyanate (1 eq). The reaction flask was once again flushed with Argon then allowed to stir at RT overnight. Afterward, the reaction was quenched by addition of saturated NH4Cl solution (25 mL) then extracted with EtOAc. The organic phase was washed with 5% w/v LiCl (aq.), water and brine. The solvent was removed by vacuum and the residue was washed with water, followed by MeOH, and isolated by suction filtration. If precipitation occurred in the organic phase, the solid was collected by vacuum filtration, then washed with water and MeOH.
  • 16
  • [ 557-68-6 ]
  • [ 6590-93-8 ]
  • 3,5-dichloro-N-[(2Z)-2-thietanylidene]aniline [ No CAS ]
YieldReaction ConditionsOperation in experiment
82% With methyllithium lithium bromide In tetrahydrofuran; diethyl ether at -78℃; for 0.0833333h; Inert atmosphere; Schlenk technique;
  • 17
  • [ 59592-31-3 ]
  • [ 6590-93-8 ]
  • [ CAS Unavailable ]
YieldReaction ConditionsOperation in experiment
In dichloromethane at 20℃; Inert atmosphere; Synthesis of catalyst 26aS - General procedure for thiourea/BIMAH organocatalysts General procedure: An oven-dried 25 mL reaction vessel containing a stirring bar under argon atmosphere was charged with 1-isothiocyanato-3,5-bis(trifluoromethyl)benzene 60 mg (2.2 mmol, 1.05 eq) and (S)-1-(1H-benzo[d]imidazol-2-yl)-2-methylpropan-1-amine 40mg (0.21 mmol, 1 eq). The two solids were dissolved by the addition of 0.4 mL DCM (resulting solution 0.5 M) and the reaction mixture was stirred for 20 h at room temperature. At completion, the solvent was removed in vacuo and 0.5 mL of THF was added resulting in the formation of a yellow solid. The solid was filtered and washed with (2 x 0.5mL) n-hexane.
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