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CAS No. : | 78364-55-3 | MDL No. : | MFCD04448803 |
Formula : | C7H6FN3S | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | QODXZESJVXQCSC-UHFFFAOYSA-N |
M.W : | 183.21 | Pubchem ID : | 2049844 |
Synonyms : |
|
Num. heavy atoms : | 12 |
Num. arom. heavy atoms : | 9 |
Fraction Csp3 : | 0.0 |
Num. rotatable bonds : | 1 |
Num. H-bond acceptors : | 3.0 |
Num. H-bond donors : | 2.0 |
Molar Refractivity : | 46.78 |
TPSA : | 79.18 Ų |
GI absorption : | High |
BBB permeant : | No |
P-gp substrate : | No |
CYP1A2 inhibitor : | Yes |
CYP2C19 inhibitor : | No |
CYP2C9 inhibitor : | No |
CYP2D6 inhibitor : | No |
CYP3A4 inhibitor : | No |
Log Kp (skin permeation) : | -5.96 cm/s |
Log Po/w (iLOGP) : | 1.21 |
Log Po/w (XLOGP3) : | 2.05 |
Log Po/w (WLOGP) : | 1.95 |
Log Po/w (MLOGP) : | 1.62 |
Log Po/w (SILICOS-IT) : | 2.04 |
Consensus Log Po/w : | 1.77 |
Lipinski : | 0.0 |
Ghose : | None |
Veber : | 0.0 |
Egan : | 0.0 |
Muegge : | 1.0 |
Bioavailability Score : | 0.55 |
Log S (ESOL) : | -2.76 |
Solubility : | 0.321 mg/ml ; 0.00175 mol/l |
Class : | Soluble |
Log S (Ali) : | -3.34 |
Solubility : | 0.0835 mg/ml ; 0.000456 mol/l |
Class : | Soluble |
Log S (SILICOS-IT) : | -2.94 |
Solubility : | 0.209 mg/ml ; 0.00114 mol/l |
Class : | Soluble |
PAINS : | 0.0 alert |
Brenk : | 1.0 alert |
Leadlikeness : | 1.0 |
Synthetic accessibility : | 2.43 |
Signal Word: | Warning | Class: | N/A |
Precautionary Statements: | P280-P305+P351+P338-P310 | UN#: | N/A |
Hazard Statements: | H302-H315-H319-H332-H335 | 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 |
---|---|---|
89% | With hydrogenchloride; hydrazine hydrate In water at 5℃; for 5 h; Reflux | 6-Fluoro-2-hydrazinobenzothiazole (2). Hydrochloric acid (10 mL) was added dropwise to hydrazine hydrate 99percent (10 g, 0.2 mol) at 5-10 °C, followed by addition of a solution of 2-amino-6-fluorobenzothiazole (1) (3.364 g, 0.02 mol) in ethylene glycol (40 mL). The mixture was heated at reflux temperature for 5 h. On cooling, the precipitated solid was collected by filtration, washed with water, dried and crystallized from ethanol. Yield 89percent, m.p. 194-196 °C [1]. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
89% | With hydrogenchloride; hydrazine hydrate; In water; at 5℃; for 5h;Reflux; | 6-Fluoro-2-hydrazinobenzothiazole (2). Hydrochloric acid (10 mL) was added dropwise to hydrazine hydrate 99% (10 g, 0.2 mol) at 5-10 C, followed by addition of a solution of 2-amino-6-fluorobenzothiazole (1) (3.364 g, 0.02 mol) in ethylene glycol (40 mL). The mixture was heated at reflux temperature for 5 h. On cooling, the precipitated solid was collected by filtration, washed with water, dried and crystallized from ethanol. Yield 89%, m.p. 194-196 C [1]. |
With hydrazine hydrochloride; hydrazine hydrate; In ethylene glycol; at 140℃; for 2h; | General procedure: The substituted aniline (1eq.) and ammonium thiocyanate (2eq.) in 150mL glacial acetic acid were cooled in an ice bath and stirred mechanically. To the sulution, bromine (2eq.) in 25ml glacial acetic acid was added dropwise at such arate to keep the temperature below 10oC throughout the addition. Stirring was continued for additional 30 min after the bromine addition. The precipitate was collected and recrystallization from ethanol to give 2-aminobenzthiazoles. Then, the substituted 2-aminobenzthiazoles (1eq) in ethylene glycol were added hydrazine hydrate (2eq.) and hydrazine dihydrochloride (2eq). The mixture was heated at 140 oC for 2h. After cooling, the precipitate was filtered to give used directly for next step without further purification. Then, the hydrazino compound was added to thionyl chloride (1eq.) for 2h at 50 oC. After evaporated under reduced pressure, the residue was taken up in ethyl acetate and washed with 1 M NaHCO3 and brine each for twice. The organic layer was dried and evaporated to give the crude final product. The crude product was purified by silica gel column chromatography using PE-EA as an eluent. | |
With hydrogenchloride; hydrazine hydrate; In water; ethylene glycol; at 5℃; for 5h;Reflux; | Hydrochloric acid (10 mL) was added dropwise to hydrazine hydrate 99% (10 g, 0.2 mol) at 5-10 C, followed by addition of a solution of 2-amino-6-fluorobenzothiazole (1) (3.364 g, 0.02 mol) in ethylene glycol (40 mL). The mixture was heated at reflux temperature for 5 h. On cooling, the precipitated solid was collected by filtration, washed with water, dried and crystallized from ethanol. Yield 89%, m.p. 194-196 C [1]. |
With hydrogenchloride; hydrazine hydrate; In water; ethylene glycol; at 5℃;Reflux; | Concentrated hydrochloric acid (0.067 mol) was added dropwise with stirring tohydrazine hydrate (0.12 mol) at 5-6 C followed by ethylene glycol (30 mL);thereafter, 6-uorobenzo[d]thiazol-2-amine (1) (20 mmol) was added in portionsand the resultant mixture was reuxed for 2-3 h and cooled at room temperature.The reaction progress was monitored by TLC using toluene:ethylacetate (75:25) asmobile phase. The reaction mixture was ltered and the resulting precipitates werewashed with distilled water. The resulting crude was recrystallized from ethanol. IR(KBr) mmax: 3010 (=C-H str), 1645 (C=C str), 1398 (C=N str). The 1HNMR(DMSO-d6) spectrum of this product showed signals: d 7.2-7.4 (3H, m, Ar C-H), at4.0 (1H, br, NH) and 4.75 (2H, br, NH2) ppm. The peaks in its 13CNMR (DMSO-d6)d: 106.1, 112.4, 115.5, 129.7, 145.5, 157.5, 171.2 ppm. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
88% | General procedure: Equimolar amounts of appropriate 2-hydrazinobenzothiazole1a-b, alpha-cyanoacetophenone 2a-c, and PTSA were mixed thoroughly in pestle mortar and heated on water bath for 4-5 min and then equimolar amount of appropriate trifluoromethyl beta-diketones 3a-d was added to it and mixed thoroughly. The reaction mixture was again heated 80-90 ° C for 15 min on water bath. The solid was obtained by addition of aq. ethanol, filtered and crystallized from the mixture of ethanol and chloroform to give pure 4. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
84% | General procedure: Equimolar amounts of appropriate 2-hydrazinobenzothiazole1a-b, alpha-cyanoacetophenone 2a-c, and PTSA were mixed thoroughly in pestle mortar and heated on water bath for 4-5 min and then equimolar amount of appropriate trifluoromethyl beta-diketones 3a-d was added to it and mixed thoroughly. The reaction mixture was again heated 80-90 ° C for 15 min on water bath. The solid was obtained by addition of aq. ethanol, filtered and crystallized from the mixture of ethanol and chloroform to give pure 4. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With acetic acid; In ethanol; for 5h;Reflux; | General procedure: A mixture of 2-hydrazinobenzothiazole 1a (0.825 g, 5 mmol)and alpha-cyanoacetophenone 2a (0.73 g, 5 mmol) was refluxed in ethanol containing acetic acid (3ml) for 5-6 h. Excess solvent was removed by distillation. The crude product so obtained was recrystallized from ethanol to give 5a (1.09 g, 75percent), Mp 201 ° C (lit.[20], 202 ° C). Other compounds (5b-d) of this type were prepared similarly. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
82% | With acetic acid;Reflux; | General procedure: 1-(6-Fluorobenzothiazol-2-yl)-3-methyl-4-(2-(substituted phenyl)hydrazono)pyrazol-5(4H)-ones 4a-e. General Procedure B. A solution of 6-fluoro-2-hydrazinobenzothiazole (2) (0.549 g, 0.003 mol) in glacial acetic acid (10 mL) was added to a solution of the appropriate ethyl 3-oxo-2-(2-(substituted phenyl)hydrazono)butanoate 3a-e (0.003 mol) in glacial acetic acid (10 mL). The mixture was heated at reflux temperature for 10-16 h, then cooled and allowed to stand overnight. The precipitated solid was collected by filtration, washed with water, dried and crystallized from ethanol to give compounds 4a-e. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
62% | With acetic acid; In ethanol;Reflux; | General procedure: 6-Fluoro-2-(2-(5-(un)substituted-2-oxoindolin-3-ylidene)hydrazino)benzothiazoles 5a-c. General Procedure C. A mixture of compound 2 (0.183 g, 0.001 mol), the appropriate isatin (0.001 mol) and glacial acetic acid (0.1 mL) in ethanol (20 mL) was heated at reflux temperature for 4-6 h. The precipitated yellow to orange solid was collected by filtration, washed with ethanol, dried and crystallized from methanol to yield compounds 5a-c. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
66% | With acetic acid; In ethanol;Reflux; | General procedure: 6-Fluoro-2-(2-(5-(un)substituted-2-oxoindolin-3-ylidene)hydrazino)benzothiazoles 5a-c. General Procedure C. A mixture of compound 2 (0.183 g, 0.001 mol), the appropriate isatin (0.001 mol) and glacial acetic acid (0.1 mL) in ethanol (20 mL) was heated at reflux temperature for 4-6 h. The precipitated yellow to orange solid was collected by filtration, washed with ethanol, dried and crystallized from methanol to yield compounds 5a-c. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
63% | With acetic acid; In ethanol;Reflux; | General procedure: 6-Fluoro-2-(2-(5-(un)substituted-2-oxoindolin-3-ylidene)hydrazino)benzothiazoles 5a-c. General Procedure C. A mixture of compound 2 (0.183 g, 0.001 mol), the appropriate isatin (0.001 mol) and glacial acetic acid (0.1 mL) in ethanol (20 mL) was heated at reflux temperature for 4-6 h. The precipitated yellow to orange solid was collected by filtration, washed with ethanol, dried and crystallized from methanol to yield compounds 5a-c. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
72% | With acetic acid; In ethanol; at 80℃; for 0.166667h;Microwave irradiation; | General procedure: 2-(2-Arylidenehydrazino)-6-fluorobenzothiazoles 6a-r. General Procedure D. A mixture of compound 2 (0.0549 g, 0.0003 mol), the appropriate aromatic aldehyde (0.00033 mol) and glacial acetic acid (0.1 mL) in ethanol (5 mL) was heated under microwave (20 W) at 80 °C for 10 min. On cooling, the precipitated solid was collected by filtration, washed with water, dried and crystallized from the appropriate solvent to give the desired compounds 6a-r. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
68% | With acetic acid; In ethanol; at 80℃; for 0.166667h;Microwave irradiation; | General procedure: 2-(2-Arylidenehydrazino)-6-fluorobenzothiazoles 6a-r. General Procedure D. A mixture of compound 2 (0.0549 g, 0.0003 mol), the appropriate aromatic aldehyde (0.00033 mol) and glacial acetic acid (0.1 mL) in ethanol (5 mL) was heated under microwave (20 W) at 80 °C for 10 min. On cooling, the precipitated solid was collected by filtration, washed with water, dried and crystallized from the appropriate solvent to give the desired compounds 6a-r. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
79% | With acetic acid; In ethanol; at 80℃; for 0.166667h;Microwave irradiation; | General procedure: 2-(2-Arylidenehydrazino)-6-fluorobenzothiazoles 6a-r. General Procedure D. A mixture of compound 2 (0.0549 g, 0.0003 mol), the appropriate aromatic aldehyde (0.00033 mol) and glacial acetic acid (0.1 mL) in ethanol (5 mL) was heated under microwave (20 W) at 80 °C for 10 min. On cooling, the precipitated solid was collected by filtration, washed with water, dried and crystallized from the appropriate solvent to give the desired compounds 6a-r. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
68% | With acetic acid; In ethanol; at 80℃; for 0.166667h;Microwave irradiation; | General procedure: 2-(2-Arylidenehydrazino)-6-fluorobenzothiazoles 6a-r. General Procedure D. A mixture of compound 2 (0.0549 g, 0.0003 mol), the appropriate aromatic aldehyde (0.00033 mol) and glacial acetic acid (0.1 mL) in ethanol (5 mL) was heated under microwave (20 W) at 80 °C for 10 min. On cooling, the precipitated solid was collected by filtration, washed with water, dried and crystallized from the appropriate solvent to give the desired compounds 6a-r. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
75% | With acetic acid; In ethanol; at 80℃; for 0.166667h;Microwave irradiation; | General procedure: 2-(2-Arylidenehydrazino)-6-fluorobenzothiazoles 6a-r. General Procedure D. A mixture of compound 2 (0.0549 g, 0.0003 mol), the appropriate aromatic aldehyde (0.00033 mol) and glacial acetic acid (0.1 mL) in ethanol (5 mL) was heated under microwave (20 W) at 80 °C for 10 min. On cooling, the precipitated solid was collected by filtration, washed with water, dried and crystallized from the appropriate solvent to give the desired compounds 6a-r. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
72% | With acetic acid; In ethanol; at 80℃; for 0.166667h;Microwave irradiation; | General procedure: 2-(2-Arylidenehydrazino)-6-fluorobenzothiazoles 6a-r. General Procedure D. A mixture of compound 2 (0.0549 g, 0.0003 mol), the appropriate aromatic aldehyde (0.00033 mol) and glacial acetic acid (0.1 mL) in ethanol (5 mL) was heated under microwave (20 W) at 80 °C for 10 min. On cooling, the precipitated solid was collected by filtration, washed with water, dried and crystallized from the appropriate solvent to give the desired compounds 6a-r. |
In ethanol; at 70 - 80℃; for 3h; | General procedure: The mixture of <strong>[78364-55-3]6-fluoro-2-hydrazinylbenzo[d]thiazole</strong> (2) (0.01 mol) and benzalde-hyde/substituted benzaldehyde (0.01 mol) was reuxed in ethanol (15 ml) at 70?80 °C for 3 h. The separated product obtained was ltered off, washed withdistilled water and recrystallized from methanol to give the correspondinghydrazone. The product obtained was further dissolved in acetic acid (20 ml) atroom temperature followed by the addition of sodium acetate (0.5 g). Bromine(2 mmol) in acetic acid (10 ml) was added dropwise to the reuxing reactionmixture. After 1 h, the mixture was poured onto crushed ice (100 g). The precipitateobtained was ltered off and crystallized from ethanol-dimethylformamide (1:1) togive crystals of (3a?3t). |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
82% | With acetic acid; In ethanol; at 80℃; for 0.166667h;Microwave irradiation; | General procedure: 2-(2-Arylidenehydrazino)-6-fluorobenzothiazoles 6a-r. General Procedure D. A mixture of compound 2 (0.0549 g, 0.0003 mol), the appropriate aromatic aldehyde (0.00033 mol) and glacial acetic acid (0.1 mL) in ethanol (5 mL) was heated under microwave (20 W) at 80 °C for 10 min. On cooling, the precipitated solid was collected by filtration, washed with water, dried and crystallized from the appropriate solvent to give the desired compounds 6a-r. |
In ethanol; at 70 - 80℃; for 3h; | General procedure: The mixture of <strong>[78364-55-3]6-fluoro-2-hydrazinylbenzo[d]thiazole</strong> (2) (0.01 mol) and benzalde-hyde/substituted benzaldehyde (0.01 mol) was reuxed in ethanol (15 ml) at 70?80 °C for 3 h. The separated product obtained was ltered off, washed withdistilled water and recrystallized from methanol to give the correspondinghydrazone. The product obtained was further dissolved in acetic acid (20 ml) atroom temperature followed by the addition of sodium acetate (0.5 g). Bromine(2 mmol) in acetic acid (10 ml) was added dropwise to the reuxing reactionmixture. After 1 h, the mixture was poured onto crushed ice (100 g). The precipitateobtained was ltered off and crystallized from ethanol-dimethylformamide (1:1) togive crystals of (3a?3t). |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
69% | With acetic acid; In ethanol; at 80℃; for 0.166667h;Microwave irradiation; | General procedure: 2-(2-Arylidenehydrazino)-6-fluorobenzothiazoles 6a-r. General Procedure D. A mixture of compound 2 (0.0549 g, 0.0003 mol), the appropriate aromatic aldehyde (0.00033 mol) and glacial acetic acid (0.1 mL) in ethanol (5 mL) was heated under microwave (20 W) at 80 °C for 10 min. On cooling, the precipitated solid was collected by filtration, washed with water, dried and crystallized from the appropriate solvent to give the desired compounds 6a-r. |
In ethanol; at 70 - 80℃; for 3h; | General procedure: The mixture of <strong>[78364-55-3]6-fluoro-2-hydrazinylbenzo[d]thiazole</strong> (2) (0.01 mol) and benzalde-hyde/substituted benzaldehyde (0.01 mol) was reuxed in ethanol (15 ml) at 70?80 °C for 3 h. The separated product obtained was ltered off, washed withdistilled water and recrystallized from methanol to give the correspondinghydrazone. The product obtained was further dissolved in acetic acid (20 ml) atroom temperature followed by the addition of sodium acetate (0.5 g). Bromine(2 mmol) in acetic acid (10 ml) was added dropwise to the reuxing reactionmixture. After 1 h, the mixture was poured onto crushed ice (100 g). The precipitateobtained was ltered off and crystallized from ethanol-dimethylformamide (1:1) togive crystals of (3a?3t). |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
76% | With acetic acid; In ethanol; at 80℃; for 0.166667h;Microwave irradiation; | General procedure: 2-(2-Arylidenehydrazino)-6-fluorobenzothiazoles 6a-r. General Procedure D. A mixture of compound 2 (0.0549 g, 0.0003 mol), the appropriate aromatic aldehyde (0.00033 mol) and glacial acetic acid (0.1 mL) in ethanol (5 mL) was heated under microwave (20 W) at 80 °C for 10 min. On cooling, the precipitated solid was collected by filtration, washed with water, dried and crystallized from the appropriate solvent to give the desired compounds 6a-r. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
81% | With acetic acid; In ethanol; at 80℃; for 0.166667h;Microwave irradiation; | General procedure: 2-(2-Arylidenehydrazino)-6-fluorobenzothiazoles 6a-r. General Procedure D. A mixture of compound 2 (0.0549 g, 0.0003 mol), the appropriate aromatic aldehyde (0.00033 mol) and glacial acetic acid (0.1 mL) in ethanol (5 mL) was heated under microwave (20 W) at 80 °C for 10 min. On cooling, the precipitated solid was collected by filtration, washed with water, dried and crystallized from the appropriate solvent to give the desired compounds 6a-r. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
79% | With acetic acid; In ethanol; at 80℃; for 0.166667h;Microwave irradiation; | General procedure: 2-(2-Arylidenehydrazino)-6-fluorobenzothiazoles 6a-r. General Procedure D. A mixture of compound 2 (0.0549 g, 0.0003 mol), the appropriate aromatic aldehyde (0.00033 mol) and glacial acetic acid (0.1 mL) in ethanol (5 mL) was heated under microwave (20 W) at 80 °C for 10 min. On cooling, the precipitated solid was collected by filtration, washed with water, dried and crystallized from the appropriate solvent to give the desired compounds 6a-r. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
68% | With acetic acid; In ethanol; at 80℃; for 0.166667h;Microwave irradiation; | General procedure: 2-(2-Arylidenehydrazino)-6-fluorobenzothiazoles 6a-r. General Procedure D. A mixture of compound 2 (0.0549 g, 0.0003 mol), the appropriate aromatic aldehyde (0.00033 mol) and glacial acetic acid (0.1 mL) in ethanol (5 mL) was heated under microwave (20 W) at 80 °C for 10 min. On cooling, the precipitated solid was collected by filtration, washed with water, dried and crystallized from the appropriate solvent to give the desired compounds 6a-r. |
In ethanol; at 70 - 80℃; for 3h; | General procedure: The mixture of <strong>[78364-55-3]6-fluoro-2-hydrazinylbenzo[d]thiazole</strong> (2) (0.01 mol) and benzalde-hyde/substituted benzaldehyde (0.01 mol) was reuxed in ethanol (15 ml) at 70?80 °C for 3 h. The separated product obtained was ltered off, washed withdistilled water and recrystallized from methanol to give the correspondinghydrazone. The product obtained was further dissolved in acetic acid (20 ml) atroom temperature followed by the addition of sodium acetate (0.5 g). Bromine(2 mmol) in acetic acid (10 ml) was added dropwise to the reuxing reactionmixture. After 1 h, the mixture was poured onto crushed ice (100 g). The precipitateobtained was ltered off and crystallized from ethanol-dimethylformamide (1:1) togive crystals of (3a?3t). |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
64% | With acetic acid; In ethanol; at 80℃; for 0.166667h;Microwave irradiation; | General procedure: 2-(2-Arylidenehydrazino)-6-fluorobenzothiazoles 6a-r. General Procedure D. A mixture of compound 2 (0.0549 g, 0.0003 mol), the appropriate aromatic aldehyde (0.00033 mol) and glacial acetic acid (0.1 mL) in ethanol (5 mL) was heated under microwave (20 W) at 80 °C for 10 min. On cooling, the precipitated solid was collected by filtration, washed with water, dried and crystallized from the appropriate solvent to give the desired compounds 6a-r. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
69% | With acetic acid; In ethanol; at 80℃; for 0.166667h;Microwave irradiation; | General procedure: 2-(2-Arylidenehydrazino)-6-fluorobenzothiazoles 6a-r. General Procedure D. A mixture of compound 2 (0.0549 g, 0.0003 mol), the appropriate aromatic aldehyde (0.00033 mol) and glacial acetic acid (0.1 mL) in ethanol (5 mL) was heated under microwave (20 W) at 80 °C for 10 min. On cooling, the precipitated solid was collected by filtration, washed with water, dried and crystallized from the appropriate solvent to give the desired compounds 6a-r. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
74% | With acetic acid; In ethanol; at 80℃; for 0.166667h;Microwave irradiation; | General procedure: 2-(2-Arylidenehydrazino)-6-fluorobenzothiazoles 6a-r. General Procedure D. A mixture of compound 2 (0.0549 g, 0.0003 mol), the appropriate aromatic aldehyde (0.00033 mol) and glacial acetic acid (0.1 mL) in ethanol (5 mL) was heated under microwave (20 W) at 80 °C for 10 min. On cooling, the precipitated solid was collected by filtration, washed with water, dried and crystallized from the appropriate solvent to give the desired compounds 6a-r. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
72% | With acetic acid; In ethanol; at 80℃; for 0.166667h;Microwave irradiation; | General procedure: 2-(2-Arylidenehydrazino)-6-fluorobenzothiazoles 6a-r. General Procedure D. A mixture of compound 2 (0.0549 g, 0.0003 mol), the appropriate aromatic aldehyde (0.00033 mol) and glacial acetic acid (0.1 mL) in ethanol (5 mL) was heated under microwave (20 W) at 80 °C for 10 min. On cooling, the precipitated solid was collected by filtration, washed with water, dried and crystallized from the appropriate solvent to give the desired compounds 6a-r. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
81% | With acetic acid; In ethanol; at 80℃; for 0.166667h;Microwave irradiation; | General procedure: 2-(2-Arylidenehydrazino)-6-fluorobenzothiazoles 6a-r. General Procedure D. A mixture of compound 2 (0.0549 g, 0.0003 mol), the appropriate aromatic aldehyde (0.00033 mol) and glacial acetic acid (0.1 mL) in ethanol (5 mL) was heated under microwave (20 W) at 80 °C for 10 min. On cooling, the precipitated solid was collected by filtration, washed with water, dried and crystallized from the appropriate solvent to give the desired compounds 6a-r. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
72% | With acetic acid; In ethanol; at 80℃; for 0.166667h;Microwave irradiation; | General procedure: 2-(2-Arylidenehydrazino)-6-fluorobenzothiazoles 6a-r. General Procedure D. A mixture of compound 2 (0.0549 g, 0.0003 mol), the appropriate aromatic aldehyde (0.00033 mol) and glacial acetic acid (0.1 mL) in ethanol (5 mL) was heated under microwave (20 W) at 80 °C for 10 min. On cooling, the precipitated solid was collected by filtration, washed with water, dried and crystallized from the appropriate solvent to give the desired compounds 6a-r. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
65% | With acetic acid; In ethanol;Reflux; | General procedure: 6-Fluoro-2-[2-(1-(substituted phenyl)ethylidene)hydraizno]benzothiazoles 7a-d. General Procedure E. A mixture of compound 2 (0.183 g, 0.001 mol), the appropriate acetophenone (0.001 mol) and glacial acetic acid (0.1 mL) in ethanol (20 mL) was heated at reflux temperature for 6-8 h. On cooling, the precipitated solid was collected by filtration, washed with ethanol, dried and crystallized from ethyl acetate : ethanol (3:1) to furnish compounds 7a-d. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
81% | With acetic acid;Reflux; | General procedure: 1-(6-Fluorobenzothiazol-2-yl)-3-methyl-4-(2-(substituted phenyl)hydrazono)pyrazol-5(4H)-ones 4a-e. General Procedure B. A solution of 6-fluoro-2-hydrazinobenzothiazole (2) (0.549 g, 0.003 mol) in glacial acetic acid (10 mL) was added to a solution of the appropriate ethyl 3-oxo-2-(2-(substituted phenyl)hydrazono)butanoate 3a-e (0.003 mol) in glacial acetic acid (10 mL). The mixture was heated at reflux temperature for 10-16 h, then cooled and allowed to stand overnight. The precipitated solid was collected by filtration, washed with water, dried and crystallized from ethanol to give compounds 4a-e. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
82% | With acetic acid;Reflux; | General procedure: 1-(6-Fluorobenzothiazol-2-yl)-3-methyl-4-(2-(substituted phenyl)hydrazono)pyrazol-5(4H)-ones 4a-e. General Procedure B. A solution of 6-fluoro-2-hydrazinobenzothiazole (2) (0.549 g, 0.003 mol) in glacial acetic acid (10 mL) was added to a solution of the appropriate ethyl 3-oxo-2-(2-(substituted phenyl)hydrazono)butanoate 3a-e (0.003 mol) in glacial acetic acid (10 mL). The mixture was heated at reflux temperature for 10-16 h, then cooled and allowed to stand overnight. The precipitated solid was collected by filtration, washed with water, dried and crystallized from ethanol to give compounds 4a-e. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
72% | With acetic acid;Reflux; | General procedure: 1-(6-Fluorobenzothiazol-2-yl)-3-methyl-4-(2-(substituted phenyl)hydrazono)pyrazol-5(4H)-ones 4a-e. General Procedure B. A solution of 6-fluoro-2-hydrazinobenzothiazole (2) (0.549 g, 0.003 mol) in glacial acetic acid (10 mL) was added to a solution of the appropriate ethyl 3-oxo-2-(2-(substituted phenyl)hydrazono)butanoate 3a-e (0.003 mol) in glacial acetic acid (10 mL). The mixture was heated at reflux temperature for 10-16 h, then cooled and allowed to stand overnight. The precipitated solid was collected by filtration, washed with water, dried and crystallized from ethanol to give compounds 4a-e. |
Tags: 78364-55-3 synthesis path| 78364-55-3 SDS| 78364-55-3 COA| 78364-55-3 purity| 78364-55-3 application| 78364-55-3 NMR| 78364-55-3 COA| 78364-55-3 structure
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