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[ CAS No. 3125-64-2 ] {[proInfo.proName]}

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3d Animation Molecule Structure of 3125-64-2
Chemical Structure| 3125-64-2
Chemical Structure| 3125-64-2
Structure of 3125-64-2 * Storage: {[proInfo.prStorage]}
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Product Details of [ 3125-64-2 ]

CAS No. :3125-64-2 MDL No. :MFCD00040335
Formula : C8H7NOS Boiling Point : -
Linear Structure Formula :- InChI Key :WHBYCPUKGYEYFU-UHFFFAOYSA-N
M.W : 165.21 Pubchem ID :137832
Synonyms :

Calculated chemistry of [ 3125-64-2 ]

Physicochemical Properties

Num. heavy atoms : 11
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.12
Num. rotatable bonds : 2
Num. H-bond acceptors : 2.0
Num. H-bond donors : 0.0
Molar Refractivity : 47.62
TPSA : 53.68 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -4.69 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.41
Log Po/w (XLOGP3) : 3.68
Log Po/w (WLOGP) : 2.43
Log Po/w (MLOGP) : 2.88
Log Po/w (SILICOS-IT) : 3.45
Consensus Log Po/w : 2.97

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 1.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -3.45
Solubility : 0.058 mg/ml ; 0.000351 mol/l
Class : Soluble
Log S (Ali) : -4.5
Solubility : 0.00526 mg/ml ; 0.0000318 mol/l
Class : Moderately soluble
Log S (SILICOS-IT) : -2.71
Solubility : 0.32 mg/ml ; 0.00194 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 2.0 alert
Leadlikeness : 2.0
Synthetic accessibility : 2.07

Safety of [ 3125-64-2 ]

Signal Word:Danger Class:6.1
Precautionary Statements:P280-P301+P310 UN#:2810
Hazard Statements:H301-H317 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 3125-64-2 ]

* 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 [ 3125-64-2 ]

[ 3125-64-2 ] Synthesis Path-Downstream   1~30

  • 2
  • [ 101-59-7 ]
  • [ 3125-64-2 ]
  • 1-(3-Methoxy-phenyl)-3-[4-(4-nitro-phenylsulfanyl)-phenyl]-thiourea [ No CAS ]
YieldReaction ConditionsOperation in experiment
74% In ethanol for 3h; Heating;
  • 3
  • [ 32022-41-6 ]
  • [ 3125-64-2 ]
  • [ 40487-74-9 ]
YieldReaction ConditionsOperation in experiment
In ethanol Heating;
  • 4
  • [ 463-71-8 ]
  • [ 27191-09-9 ]
  • [ 3125-64-2 ]
  • 5
  • [ 66-77-3 ]
  • [ 3125-64-2 ]
  • [ 171778-06-6 ]
  • 2-[2-(3-methoxy-phenylamino)-3-naphthalen-1-ylmethyl-3,4-dihydro-quinazolin-4-yl]-acetamide [ No CAS ]
YieldReaction ConditionsOperation in experiment
64% Multistep reaction.;
  • 7
  • [ 15930-60-6 ]
  • [ 3125-64-2 ]
  • [ 929042-14-8 ]
YieldReaction ConditionsOperation in experiment
98% Stage #1: N,N-diethyl-3-iodobenzamide With isopropylmagnesium chloride In tetrahydrofuran at -20℃; for 0.5h; Stage #2: 3-methoxyphenyl isothiocyanate In tetrahydrofuran at 20℃; for 2h; Further stages.;
  • 8
  • [ 77350-52-8 ]
  • [ 3125-64-2 ]
  • N,N-diethyl-4-(3-methoxyphenylthiocarbamoyl)benzamide [ No CAS ]
YieldReaction ConditionsOperation in experiment
96% Stage #1: N,N-diethyl-4-iodobenzamide With isopropylmagnesium chloride In tetrahydrofuran at -20℃; for 0.5h; Stage #2: 3-methoxyphenyl isothiocyanate In tetrahydrofuran at 20℃; for 2h; Further stages.;
  • 9
  • [ 120069-21-8 ]
  • [ 3125-64-2 ]
  • [ 74-88-4 ]
  • 2-Isopropylsulfonyl-3-(3-methoxyphenylamino)-3-methylsulfanyl-2-propenenitrile [ No CAS ]
YieldReaction ConditionsOperation in experiment
4.40 g (99%) With potassium carbonate; In dichloromethane; acetone; 1 2-Isopropylsulfonyl-3-(3-methoxyphenylamino)-3-methylsulfanyl-2-propenenitrile A solution of 2-propanesulfonylacetonitrile (2.0 g, 13.6 mmol) in dry acetone (25 ml) was stirred while dry potassium carbonate (1.28 g, 9.28 mmol) and 3-methoxyphenyl isothiocyanate (2.36 g, 14.3 mmol) were added. The resulting mixture was stirred at room temperature under nitrogen for 20 h. Excess of potassium carbonate was filtered off, methyl iodide (2.54 ml, 40.8 mmol) was added to the filtrate, and stirring was continued for 60 h. The mixture was evaporated and the residue was dissolved in dichloromethane and extracted with water and brine. The organic phase was dried over magnesium sulphate, filtered and evaporated to afford 4.40 g (99%) of the title compound as yellow crystals. Mp 107-110 C. 1H NMR (200 MHz, CDCl3): delta=1.44 (d, 6H), 2.22 (s, 3H), 3.36 (heptet, 1H), 3.83 (s, 3H), 6.81 (m, 1H), 6.85 (dd, 1H), 6.87 (dd, 1H), 7.32 (dd, 1H), 9.91 (br s, 1H).
  • 10
  • [ 120069-21-8 ]
  • [ 3125-64-2 ]
  • [ 74-88-4 ]
  • [ 268207-38-1 ]
  • 11
  • [ 51940-44-4 ]
  • [ 3125-64-2 ]
  • [ 1206482-81-6 ]
YieldReaction ConditionsOperation in experiment
55% With triethylamine In N,N-dimethyl-formamide at 20℃; Inert atmosphere;
With triethylamine 19 2-(4-[(3-methoxyphenyl)amino]carbonothioyl}-1-piperazinyl)-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid (19) Example 19 2-(4-[(3-methoxyphenyl)amino]carbonothioyl}-1-piperazinyl)-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid (19) Pipemidic acid (25 mg, 0.0824 mmol), 3-methoxyphenyl isothiocyanate (11.6 μL, 0.0824 mmol) and triethylamine (23 μL, 0.165 mmol) were used. Purification on silica yielded compound 19 in Table 1, below (21.4 mg, 55%). 1H NMR (300 MHz, CDCl3) δ 9.31 (s, 1H), 8.67 (s, 1H), 7.47 (s, 1H), 7.30-7.21 (m, 1H), 6.80-6.68 (m, 3H), 4.32 (q, J=6.90 Hz, 2H), 4.23-3.89 (m, 8H), 3.79 (s, 3H), 1.48 (t, J=7.16 Hz, 3H) ppm.
  • 12
  • [ 106092-09-5 ]
  • [ 3125-64-2 ]
  • [ 1262552-30-6 ]
  • 13
  • [ 5650-51-1 ]
  • [ 3125-64-2 ]
  • [ 627514-81-2 ]
YieldReaction ConditionsOperation in experiment
33% Stage #1: 5,6-dihydro-<6H>-cyclopenta-<b>-thiophene-4-one; 3-methoxyphenyl isothiocyanate With lithium hexamethyldisilazane In tetrahydrofuran at 20℃; for 8h; Stage #2: With hydrazine hydrate; acetic acid In tetrahydrofuran for 24h; Reflux; 26 Example 26 (4,7-dihydro-1-thia-4,5-diazacyclopenta[a]pentalen-6-yl)(3-methoxyphenyl)amine A mixture of 5,6-Dihydro-cyclopenta[b]thiophen-4-one (1.0 g, 7.4 mmol) and 1-Isothiocyanato-3-methoxy-benzene (1.5 g, 7.2 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 in L) 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 (4,7-Dihydro-1-thia-4,5-diaza-cyclopenta[a]pentalen-6-yl)-(3-methoxy-phenyl)-amine as brown solid in 33% yield. [0241] MS (ESI) m/z: 284.0 (M+H)+. 1H NMR (DMSO-d6): 12.06 (s, 1H), 8.351 (s, 1H), 7.55 (d, 1H), 7.19 (s, 1H), 7.09 (t, 2H), 6.32 (d, 1H), 3.70 (s, 3H), 3.49 (s, 2H).
32% Stage #1: 5,6-dihydro-<6H>-cyclopenta-<b>-thiophene-4-one; 3-methoxyphenyl isothiocyanate With lithium hexamethyldisilazane In tetrahydrofuran at 20℃; for 8h; Stage #2: With hydrazine hydrate; acetic acid In tetrahydrofuran; water for 24h; Reflux; 26 Example 26(4,7-dihydro-1-thi-4,5-diazo-cyclopentadienyl [a] cyclopentan-6-yl) - (3-methoxy- phenyl)amine 5,6-dihydro-cyclopenta [b] thien-4-one (1.0 g, 7.4 mmol) in THF (2.0 mL) and 1-isothiocyanato-3-methoxy- Benzene (1.5 g, 7.2 mmol) was added dropwise at room temperature hexamethyldisilane (7.0 mL, 7.2 mmol). The reaction mixture was stirred for 8 hours. Will monohydrated amine(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 (4,7-dihydro-1-thi-4,5-diazo-cyclopentadienyl [a] Cyclopenta-6-yl) - (3-methoxy-phenyl) -amine in 32% yield.
  • 15
  • [ 54616-47-6 ]
  • [ 3125-64-2 ]
  • 3-(Z)-[(3-methoxyphenyl)imino]benzo[c]thiophen-1(3H)-one [ No CAS ]
  • 16
  • [ 54616-47-6 ]
  • [ 3125-64-2 ]
  • C17H18N2O2S [ No CAS ]
YieldReaction ConditionsOperation in experiment
General procedure: To a stirred solution of 1 (0.23 g, 1.0 mmol) in THF (6 mL) at -78C was added n-BuLi (1.6 M in hexane; 1.0 mmol) dropwise. After 15 min, PhNCS(0.14 g, 1.0 mmol) was added and stirring was continued for an additional 5 min before addition of saturated aqueous NH4Cl (15 mL). The mixture was extracted with AcOEt (3 × 10 mL), and the combined extracts were washed with brine (10 mL), dried (Na2SO4) and concentrated by evaporation
  • 17
  • [ 53386-64-4 ]
  • [ 3125-64-2 ]
  • 1-benzyl-3-(3-methoxyphenyl)-2-sulfanylideneimidazolidin-4-one [ No CAS ]
  • 18
  • [ 68470-59-7 ]
  • [ 141-97-9 ]
  • [ 3125-64-2 ]
  • ethyl 2-((3-methoxyphenyl)amino)-4-methyl-5-(6-methylpyridin-2-yl)thiophene-3-carboxylate [ No CAS ]
YieldReaction ConditionsOperation in experiment
34% To a solution of potassium carbonate (84 mg, 0.6053 mmol) in DMF (0.5 mL) was added ethyl acetoacetate (0.08 mL, 0.6053 mmol). After stirring at rt for 2 h, 3-methoxyophenyl isothiocyanate (0.08 mL, 0.6053 mmol) was added dropwise at 0 C. Then, the mixture was stirred at 60 C for 2h before addition of <strong>[68470-59-7]2-(bromomethyl)-6-methylpyridine</strong> (112 mg, 0.6053 mmol). The reaction mixture was stirred at 60 C for 3 h and extracted with ethyl acetate. The organic layer was dried over anhydrous Na2SO4, filtered and evaporated. The resulting crude residue was purified by column chromatography (ethyl acetate/Hex 20 %) to give product (79 mg, 34% Yield) as a brown solid.
  • 19
  • [ 73870-24-3 ]
  • [ 141-97-9 ]
  • [ 3125-64-2 ]
  • ethyl 2-((3-methoxyphenyl)amino)-4-methyl-5-(pyridin-4-yl)thiophene-3-carboxylate [ No CAS ]
YieldReaction ConditionsOperation in experiment
80% To a solution of potassium carbonate (84 mg, 0.605 mmol) in DMF (0.5 mL) was added ethyl acetoacetate (0.08 mL, 0.605 mmol). After stirring at rt for 2 h, 3-methoxyophenyl isothiocyanate (0.08 mL, 0.6053 mmol) was added at 0 C. Then, the mixture was stirred at 60 C for 2 h before addition of <strong>[73870-24-3]4-(bromomethyl)pyridine hydrobromide</strong> (153 mg, 0.6053 mmol). The reaction mixture was stirred at 0 C and extracted with ethyl acetate. The organic layer was dried over anhydrous Na2SO4, filtered and evaporated. The resulting crude residue was purified by column chromatography (ethyl acetate/Hex 20%) to give product (173 mg, 80% yield) as a yellow liquid.
  • 20
  • [ 141-97-9 ]
  • [ 20782-91-6 ]
  • [ 3125-64-2 ]
  • ethyl 2-((3-methoxyphenyl)amino)-4-methyl-5-(5-nitrofuran-2-yl)thiophene-3-carboxylate [ No CAS ]
YieldReaction ConditionsOperation in experiment
33% To a solution of potassium carbonate (84 mg, 0.6053 mmol) in DMF (0.5 mL) was added ethyl acetoacetate (0.08 mL, 0.6053 mmol). After stirring at rt for 2 h, 3-methoxyophenyl isothiocyanate (0.08 mL, 0.6053 mmol) was added dropwise at 0 C. Then, the reaction mixture was stirred at 60 C for 2 h before addition of <strong>[20782-91-6]2-(bromomethyl)-5-nitrofuran</strong> (124 mg, 0.6053 mmol). The reaction mixture was stirred at 60 C for 3 h and extracted with ethyl acetate. The organic layer was dried over anhydrous Na2SO4, filtered and evaporated. The resulting crude residue was purified by column chromatography (ethyl acetate/Hex 15%) to give product (82 mg, 33% yield) as a red liquid.
  • 21
  • [ 2144-37-8 ]
  • [ 141-97-9 ]
  • [ 3125-64-2 ]
  • methyl 5-(4-(ethoxycarbonyl)-5-((3-methoxyphenyl)amino)-3-methylthiophen-2-yl)furan-2-carboxylate [ No CAS ]
YieldReaction ConditionsOperation in experiment
20% To a solution of potassium carbonate (84 mg, 0.6053 mmol) in DMF (0.5 mL) was added ethyl acetoacetate (0.08 mL, 0.6053 mmol). After at rt for 2 h, 3-methoxyophenyl isothiocyanate (0.08 mL, 0.6053 mmol) was added dropwise at 0 C. Then, the mixture was stirred at 60 C for 2 h before addition of methyl 5-(chloromethyl)furan-2-carboxylate (105 mg, 0.6053 mmol). The reaction mixture was stirred at 60 C for 3 h and extracted with ethyl acetate. The organic layer was dried over anhydrous Na2SO4, filtered and evaporated. The resulting crude residue was purified by column chromatography (ethyl acetate/Hex 7%) to give product (51 mg, 20% yield) as a brown solid.
  • 22
  • [ 100442-49-7 ]
  • [ 141-97-9 ]
  • [ 3125-64-2 ]
  • ethyl 2-((3-methoxyphenyl)amino)-4-methyl-5-(3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl)thiophene-3-carboxylate [ No CAS ]
YieldReaction ConditionsOperation in experiment
47% Stage #1: ethyl acetoacetate With potassium carbonate In N,N-dimethyl-formamide at 20℃; for 2h; Stage #2: 3-methoxyphenyl isothiocyanate In N,N-dimethyl-formamide at 0 - 60℃; for 2h; Stage #3: 5-(chloromethyl)-3-(trifluoro-methyl)-1,2,4-oxadiazole In N,N-dimethyl-formamide at 60℃; for 3h; Ethyl 2-((3-methoxyphenyl)amino)-4-methyl-5-(3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl)thiophene-3-carboxylate (8i) To a solution of potassium carbonate (42 mg, 0.3026 mmol) in DMF (0.5 mL) was added ethyl acetoacetate (0.04 mL, 0.3026 mmol). After stirring at rt for 2 h, 3-methoxyophenyl isothiocyanate (0.04 mL, 0.3026 mmol) was added dropwise at 0 °C. Then, the mixture was stirred at 60 °C for 2 h before addition of 5-(chloromethyl)-3-(trifluoromethyl)-1,2,4-oxadiazole (56 mg, 0.3026 mmol)stirring at 0 °C for 0.5 h and extracted with ethyl acetate. The organic layer was dried over anhydrous Na2SO4, filtered and evaporated. The resulting crude residue was purified by column chromatography (ethyl acetate/Hex 20%) to give product (63 mg, 47% yield) as a yellow solid.
  • 23
  • [ 19225-92-4 ]
  • [ 141-97-9 ]
  • [ 3125-64-2 ]
  • ethyl 2-((3-methoxyphenyl)amino)-4-methyl-5-(1-methyl-1H-imidazol-2-yl)thiophene-3-carboxylate [ No CAS ]
YieldReaction ConditionsOperation in experiment
8% To a stirred solution of potassium carbonate (84 mg, 0.605 mmol) in DMF (0.5 mL) was added ethyl acetoacetate (0.08 mL, 0.605 mmol). After stirring at rt for 2 h, 3-methoxyphenyl isothiocyanate (0.08 mL, 0.605 mmol) was added dropwise at 0 C. Then, the mixture was stirred at 60 C for 2 h before addition of <strong>[19225-92-4]2-(chloromethyl)-1-methyl-1H-imidazole</strong> (79 mg, 0.605 mmol). The reaction mixture was stirred at 60 C for 3 h and extracted with ethyl acetate. The organic layer was dried over anhydrous Na2SO4, filtered, and evaporated. The resulting crude residue was purified by column chromatography (ethyl acetate/Hex, 5%) on silica gel to give the thiophene (18 mg, 8% yield) as a yellow liquid.
  • 24
  • [ 31106-82-8 ]
  • [ 7152-15-0 ]
  • [ 3125-64-2 ]
  • ethyl 4-isopropyl-2-((3-methoxyphenyl)amino)-5-(pyridin-2-yl)thiophene-3-carboxylate [ No CAS ]
YieldReaction ConditionsOperation in experiment
68% Stage #1: ethyl 4-methyl-3-oxo-pentanoate With potassium carbonate In N,N-dimethyl-formamide at 20℃; for 2h; Stage #2: 3-methoxyphenyl isothiocyanate In N,N-dimethyl-formamide at 0 - 60℃; for 2h; Stage #3: 2-(bromomethyl)pyridine hydrobromide In N,N-dimethyl-formamide at 60℃; for 3h; Ethyl 4-isopropyl-2-((3-methoxyphenyl)amino)-5-(pyridin-2-yl)thiophene-3-carboxylate (8aj) To a stirred solution of potassium carbonate (84 mg, 0.605 mmol) in DMF (0.5 mL) was added ethyl 4-methyl-3-oxopentanoate (0.10 mL, 0.605 mmol). After stirring at rt for 2 h, 3-methoxyophenyl isothiocyanate (0.08 mL, 0.605 mmol) was added dropwise at 0 °C. Then, the mixture was stirred at 60 °C for 2 h before addition of 2-(bromomethyl)pyridine hydrobromide (153 mg, 0.6053 mmol). The reaction mixture was stirred at 60 °C for 3 h and extracted with ethyl acetate. The organic layer was dried over anhydrous Na2SO4, filtered and evaporated. The resulting crude residue was purified by column chromatography (ethyl acetate/Hex 10%) to give the thiophene 8aj (164 mg, 68% yield) a yellow liquid.
  • 25
  • [ 32249-35-7 ]
  • [ 31106-82-8 ]
  • [ 3125-64-2 ]
  • methyl 4-cyclopropyl-2-((3-methoxyphenyl)amino)-5-(pyridin-2-yl)thiophene-3-carboxylate [ No CAS ]
YieldReaction ConditionsOperation in experiment
81% To a stirred solution of potassium carbonate (84 mg, 0.605 mmol) in DMF (0.5 mL) was added methyl-3-cycloproyl-3-oxopropionate (0.07 mL, 0.6053 mmol). After stirring at rt for 2 h, 3-methoxyophenyl isothiocyanate (0.08 mL, 0.6053 mmol) was added at 0 C. Then, the mixture was stirred for 60 C for 2 h before addition of 2-(bromomethyl)pyridine hydrobromide (153 mg, 0.6053 mmol). The reaction mixture was stirred at 60 C for 3 h and extracted with ethyl acetate. The organic layer was dried over anhydrous Na2SO4, filtered and evaporated. The resulting crude residue was purified by column chromatography (ethyl acetate/Hex 10%) to give the thiophene 8ak (186 mg, 81% yield) a yellow liquid.
  • 26
  • [ 97-50-7 ]
  • [ 3125-64-2 ]
  • 1-(5-chloro-2,4-dimethoxyphenyl)-3-(3-methoxyphenyl)thiourea [ No CAS ]
YieldReaction ConditionsOperation in experiment
65% In dichloromethane; at 0℃; for 0.75h; General procedure: Different substituted anilines (1 mmol) were dissolved in dichloromethane at 0 C, reaction mixture was stirred for 10-15 min then isocyanates or isothiocayanates (1 mmol) were added, progress of reaction was monitored with TLC. After 45 min, a solid mass was appeared which was filtered, washed with hexane, triturated with 10 mL of dichloromethane and 50 mL of hexane and dried under vacuum. Crystallization from ethanol get the desired solid thiourea/urea. The structural determination was carried out by 1H-, 13C NMR, and mass spectrometry.
  • 27
  • [ 24237-39-6 ]
  • [ 3125-64-2 ]
  • ethyl 2-(3-(3-methoxyphenyl)thioureido)-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate [ No CAS ]
YieldReaction ConditionsOperation in experiment
80% With pyridine at 100℃; for 0.0333333h; Microwave irradiation; Sealed tube; 4.1.2. General procedure for the preparation of compounds 7-9 General procedure: In a 10 mL microwave reaction tube, compound 3 (0.3 g, 1.25 mmol)and the corresponding aryl isothiocyanate 4, 5 or 6 were mixed (3 mL ofdry pyridine was also added in the case of compound 4). The tube wassealed and irradiated in a CEM Discover microwave reactor at 120 W,100 C, over 2 min. After cooling at ambient temperature the residueswere subjected to FCC to afford the desired compounds in pure form. Inthe case of 4 pyridine was evaporated under reduced pressure first andthe residue was subjected to FCC to afford the desired compound in pureform.
  • 28
  • [ 557-68-6 ]
  • [ 3125-64-2 ]
  • 3-methoxy-N-[(2Z)-2-thietanylidene]aniline [ No CAS ]
YieldReaction ConditionsOperation in experiment
75% With methyllithium lithium bromide In tetrahydrofuran; diethyl ether at -78℃; for 0.0833333h; Inert atmosphere; Schlenk technique;
  • 29
  • [ 5785-06-8 ]
  • [ 3125-64-2 ]
  • 1-(3-methoxyphenyl)-4-(3-methoxyphenyl)thiosemicarbazide [ No CAS ]
YieldReaction ConditionsOperation in experiment
87% In ethanol for 1h; Reflux; Synthesis of S1, S2, S3, S7, S8, S9, S11, and S13 First, 0.001 mol of 3-methoxybenzhydrazide and 5 mL of ethanol were placed in around bottom flask. It was heated under reflux until a clear solution was obtained. Anequimolar amount of the appropriate aryl isothiocyanate * was then added to the mixture.It was heated at the boiling point for 1 h. The solution was then cooled until the productprecipitated completely. The resulting solid was filtered off and washed with diethyl etherand water.
  • 30
  • [ 3125-64-2 ]
  • [ 2942-14-5 ]
YieldReaction ConditionsOperation in experiment
93% With indium(III) trichloride In chlorobenzene at 132℃; for 2.5h; 7 Example 7 Chlorobenzene (40ml) andm-methoxyphenyl isothiocyanate(3.30g, 20mmol) was added in the reactor equipped with a thermometer and a reflux condenser, indium trichloride (4.43g, 20mmol) was added to the reactor at one time, and the temperature of the reaction system was raised to the boiling point of chlorobenzene at 132 ° C and refluxed, After the indium trichloride was completely dissolved, the reaction was refluxed for 2.5 hours, the filtrate was collected by filtration, and the solvent in the filtrate was evaporated by a rotary evaporator to obtain a crude product. The obtained crude product was recrystallized with ethyl acetate, and the white solid therein was filtered off with suction to obtain 3.07 g of polycarbonate anti-high temperature degradation agent G with a yield of 93%.
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