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[ CAS No. 39842-01-8 ] {[proInfo.proName]}

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3d Animation Molecule Structure of 39842-01-8
Chemical Structure| 39842-01-8
Chemical Structure| 39842-01-8
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Product Details of [ 39842-01-8 ]

CAS No. :39842-01-8 MDL No. :MFCD00022054
Formula : C9H9NS Boiling Point : -
Linear Structure Formula :- InChI Key :HOHSBFCSOARUBF-UHFFFAOYSA-N
M.W : 163.24 Pubchem ID :142386
Synonyms :

Safety of [ 39842-01-8 ]

Signal Word:Danger Class:6.1
Precautionary Statements:P501-P261-P270-P271-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P310+P330-P304+P340+P311-P403+P233-P405 UN#:2811
Hazard Statements:H301+H331-H315-H319-H335 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 39842-01-8 ]

* 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 [ 39842-01-8 ]

[ 39842-01-8 ] Synthesis Path-Downstream   1~10

  • 2
  • [ 39842-01-8 ]
  • [ 16738-20-8 ]
YieldReaction ConditionsOperation in experiment
With ethanol; ammonia; water
With ammonia; water In ethyl acetate at 20℃;
With ammonium hydroxide In water; ethyl acetate at 20℃;
With ammonia In N,N-dimethyl-formamide at 20℃; for 1h; General Procedure for the synthesis of 2,4-Dimethyl Phenyl thiourea To a stirred solution of DMF (4-5 ml), 2,4-Dimethyl aniline (2 mmol, 254 mg) was added in slowly and followed by carbon disulphide (20 mmol (10 eq), 1520 mg) and sodium bicarbonate (2 mmol (1 eq), 168 mg) were added at room temperature. The whole reaction mixture stirred for one hour (until get the yellow color solid) at room temperature. Thiocarbomate formation was monitored by TLC. To this, CoSO4xH2O (25 mol%, 121 mg) and sodium bicarbonate (2 mmol (1 eq), 168 mg) were added slowly for 5 min and the reaction mixture stirred for 1 h. During this period, a block color precipitate was observed and settles at bottom of round bottom flask. The progress of the reaction was investigated by TLC (5% ethylacetate in hexane). After 1 h, ammonia solution (2 ml) was added slowly. Then the whole reaction mixture stirred for 1 h at room temperature. After finish the reaction, the reaction mixture was transferred into centrifuged tubes and the mixture was centrifuged for 10 min by using centrifugation machine. Block color solid was settled in the bottom of centrifuged tubes. The clear solution was concentrated by using rotary evaporator and the crude mixture was purified by silica gel (60-120 mesh) column chromatography using 20% Ethylacetate in Hexane as eluent to afford a 2,4-Dimethyl phenyl thiourea as white solid.
With ammonium hydroxide In N,N-dimethyl-formamide at 20℃; for 1h; Synthesis of cyanamides 2a-h,l-n (General method). General procedure: Aryl/alkyl isothiocyanate 1a-h,l-n (2 mmol) was addedslowly to stirred DMF (4-5 ml), followed by addition ofaqueous NH3 (2 ml, 2 mmol) at room temperature. Thereaction mixture was stirred for 1 h at room temperature.Thiourea formation was monitored by TLC on silica gel.Then CoSO4·H2O (121 mg, 0.5 mmol, 25 mol %) wasadded slowly followed by addition of NaOAc (164 mg,2 mmol), and the reaction mixture was stirred for 2 h atroom temperature. During this time, black precipitate(CoS) appeared and was removed by centrifugation. Theclear solution was concentrated using rotary evaporator,and the crude mixture was purified by columnchromatography using 10% EtOAc in hexane as eluent toobtain a corresponding cyanamide as a target product.
With ammonium hydroxide at 0℃; 2.2 Synthetic procedure General procedure: Phenyl isothiocyanate 1a-k (3.7mmol) stirred for 30min with aqueous ammonia solution (25%, 5mL) at ice-cold temperature (~0°C). The reaction was monitored by TLC and after complete consumption of the starting material, excess of ammonia was shelved under reduced pressure. The remained mixture was co-distilled with toluene (3×15mL), subsequently, the resultant phenylthiourea 2a-k was dried under high vacuum. After complete drying, phenyl thiourea was dissolved in anhydrous DMF (0.33M), and NaN3 (11.11mmol) and CAN (10mol%) were added sequentially portion-wise, followed by dropwise addition of triethylamine (11.11mmol) over a period of 15min. Afterwardthe completion of addition of triethylamine, thereafter reaction mixture was allowed to stir for 4-5h at 100°C. Transformation progression of the in situ generated 1-phenylthiourea 2a-k to 1-phenyl-1H-tetrazol-5-ylamine was monitored by using TLC. The product was extracted with ethyl acetate (3×20mL). These assorted organic layers were washed with water (3×20mL) and brine solution (3×20mL) and followed by Na2SO4 to get dried over before concentration under reduced pressure. Finally yielded crude product was purified over a column of silica gel (230-400 mesh) that was saturated with 1% triethylamine and eluted using 8:1:1 chloroform/methanol/methanolic ammonia solvent mixture to obtain tetrazoles 3a-k and 4a-4k in good to excellent yields. Finally structure of the desired finished products was confirmed by their MP, IR, and 1H and 13C NMR spectra.
With ammonium hydroxide In dimethyl sulfoxide at 20℃; for 3h; 2.2 General procedure for the preparationof arylcyanamide General procedure: To a stirred solution of DMSO (4-5 mL), respectiveisothiocyanate (2 mmol) was added slowly at roomtemperature and stirring further continued for 3 h atroom temperature. The progress of the reaction wasinvestigated by TLC (20% ethylacetate in hexane).After forming the respective substituted thiourea (asper TLC) Fe2(SO4)3.H2O (50 mol %, 417 mg) andNaOAc (2 mmol, 164 mg) were added to that solutionat room temperature, then the reaction mixture wasstirred for 2 h. During this time black color precipitate(FeS) was observed. And it was removed by centrifugation. The clear solution was concentrated byusing a rotary evaporator and the crude mixture waspurified by silica gel (60-120 mesh) column chromatographyusing Ethylacetate in Hexane as eluent toobtain a phenyl cyanamide as a white solid.

  • 3
  • [ 7713-69-1 ]
  • [ 39842-01-8 ]
  • 1-sec-Butyl-3-(2,4-dimethyl-phenyl)-1-methyl-thiourea [ No CAS ]
YieldReaction ConditionsOperation in experiment
In hexane; benzene
  • 4
  • [ 25419-06-1 ]
  • [ 39842-01-8 ]
  • [ 52317-68-7 ]
  • 5
  • [ 52317-98-3 ]
  • [ 39842-01-8 ]
  • [ 52317-72-3 ]
YieldReaction ConditionsOperation in experiment
In hexane; benzene
  • 7
  • [ 39842-01-8 ]
  • iron [ No CAS ]
  • paraffin oil [ No CAS ]
  • [ 21789-36-6 ]
  • 8
  • [ 39842-01-8 ]
  • [ 24155-42-8 ]
  • (2,4-dimethyl-phenyl)-thiocarbamic acid <i>O</i>-[1-(2,4-dichloro-phenyl)-2-imidazol-1-yl-ethyl] ester [ No CAS ]
  • 9
  • [ 39842-01-8 ]
  • [ 88-74-4 ]
  • [ 216502-42-0 ]
YieldReaction ConditionsOperation in experiment
80% Stage #1: 2,4-dimethylphenylisothiocyanate; 2-nitro-aniline at 20℃; for 0.5h; Stage #2: With potassium carbonate In dimethyl sulfoxide at 110℃; for 5h; Synthesis of 2-aminobenzothiazoles 3a-h; general procedure General procedure: A mixture of the appropriate isothiocyanate 1 (2 mmol) and o-nitroaniline 2 (2 mmol) was stirred at room temperature for 30 min.The reaction between the isothiocyanate and o-nitroaniline was conducted in the absence of solvent. After completion of the reaction (monitored by TLC), potassium carbonate (4 mmol) and dimethylsulfoxide (3 mL) were added to reaction mixture and it was heated 110 °C for 5 h. The reaction mixture was cooled to room temperature Water (3 mL) was then added and the mixture was extracted with EtOAc (3 × 6 mL). The organic layers were dried with anhydrous MgSO4 and under vacuum. The residue was purified by column chromatography using EtOAc-n-hexane (4:1) as eluent.
  • 10
  • [ 39842-01-8 ]
  • [ 140136-71-6 ]
YieldReaction ConditionsOperation in experiment
71% With 2,6-di-tert-butyl-4-methyl-phenol; copper(ll) bromide In tetrahydrofuran at 20℃; for 10h; 3.1.2 General Procedure for 2-haloarylisothiocyanate General procedure: To a stirred solution of THF (2 ml), respective isothiocyanate(0.5 mmol) was added in slowly and followed byCuX2(1 eq) and BHT (3 eq) were added slowly and thereaction mixture was stirred for 6 h at room temperature.The progress of the reaction was investigated by TLC (5%ethylacetate in hexane). After finish the reaction, the reactionmixture was washed with water (4 ml) and ethylacetate(6 ml) for 3 times. Both organic and aqueous layerswere separated and the organic layer was concentrated byusing rotary evaporator and the crude mixture was purifiedby silica gel (60-120 mesh) column chromatography usingEthylacetate in Hexane as eluent to obtain a 2-halophenylisothiocyanate as oily liquid
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