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[ CAS No. 1463501-47-4 ] {[proInfo.proName]}

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Product Details of [ 1463501-47-4 ]

CAS No. :1463501-47-4 MDL No. :MFCD31561260
Formula : C8H5BrN2OS Boiling Point : -
Linear Structure Formula :- InChI Key :MWLFDIWJPMQINL-UHFFFAOYSA-N
M.W : 257.11 Pubchem ID :87817095
Synonyms :

Safety of [ 1463501-47-4 ]

Signal Word:Warning Class:
Precautionary Statements:P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501 UN#:
Hazard Statements:H302-H315-H319-H335 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 1463501-47-4 ]

* 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 [ 1463501-47-4 ]

[ 1463501-47-4 ] Synthesis Path-Downstream   1~10

  • 1
  • [ 20776-50-5 ]
  • [ 17356-08-0 ]
  • [ 1463501-47-4 ]
YieldReaction ConditionsOperation in experiment
78% at 40℃; for 2.5h; Inert atmosphere; Ionic liquid; Typical experimental procedure for the synthesis of 2a-e: General procedure: A mixture of appropriate 2-aminobenzoic acid 1a-e (5 mmol), thiourea (10 mmol) and [BMIM]Br (5 ml) are taken in a round bottomed flask with the provision to perform the reaction under nitrogen atmosphere. The contents of the flask were stirred magnetically at 40 ± 2 °C. The progress of the reaction was monitored on a TLC plate (Merck Silica gel 60F254) in pet. ether-ethyl acetate (9:1) and the visualization was accomplished in an iodine chamber/UV-light. Upon completion of the reaction, water (20 ml) was added to it. The organic compound was precipitated, which was filtered on a Buckner funnel by applying vacuum. The product, so obtained, was purified by crystallization with ethanol/column chromatography (Merck Silica gel 60-120 mesh) and elution of the product was accomplished by pet.ether-ethyl acetate (9:1).
  • 2
  • [ 1463501-47-4 ]
  • [ 79-11-8 ]
  • [ 1463501-64-5 ]
YieldReaction ConditionsOperation in experiment
87% at 60℃; for 2h; Inert atmosphere; Ionic liquid; Typical experimental procedure for the synthesis of 3a-e/4a-e: General procedure: Compounds 2a-e (1 mmol), 2-chloroethanoic acid/2-chloropropanal (1 mmol) and [BMIM]Br/BF4/OTf (5 ml) were taken in a round bottomed flask having provision to carry out the reaction under nitrogen atmosphere. The contents of the flask were stirred magnetically at 60 ± 2 °C. The progress of the reaction was monitored on a TLC-Plate in pet. ether-ethyl acetate (8:2). After completion of the reaction, the product was extracted with ethyl acetate. The solvent was recovered under reduced pressure (5 mm of Hg). The pasty mass thus obtained was extracted with diethylether, dried over anhydrous sodium sulfate and ether was distilled. The product so obtained was purified by crystallization with ethanol/column chromatography (Merck Silica gel 60-120 mesh) and eluting TLC product with pet. ether-ethyl acetate (8:2).
  • 3
  • [ 1463501-47-4 ]
  • [ 79-11-8 ]
  • [ 1463501-56-5 ]
YieldReaction ConditionsOperation in experiment
86% at 60℃; for 2h; Inert atmosphere; Ionic liquid; Typical experimental procedure for the synthesis of 3a-e/4a-e: General procedure: Compounds 2a-e (1 mmol), 2-chloroethanoic acid/2-chloropropanal (1 mmol) and [BMIM]Br/BF4/OTf (5 ml) were taken in a round bottomed flask having provision to carry out the reaction under nitrogen atmosphere. The contents of the flask were stirred magnetically at 60 ± 2 °C. The progress of the reaction was monitored on a TLC-Plate in pet. ether-ethyl acetate (8:2). After completion of the reaction, the product was extracted with ethyl acetate. The solvent was recovered under reduced pressure (5 mm of Hg). The pasty mass thus obtained was extracted with diethylether, dried over anhydrous sodium sulfate and ether was distilled. The product so obtained was purified by crystallization with ethanol/column chromatography (Merck Silica gel 60-120 mesh) and eluting TLC product with pet. ether-ethyl acetate (8:2).
  • 4
  • [ 75-15-0 ]
  • [ 112253-70-0 ]
  • [ 1463501-47-4 ]
YieldReaction ConditionsOperation in experiment
43% Stage #1: carbon disulfide With water; potassium hydroxide In ethanol at 40 - 50℃; for 0.5h; Stage #2: 2-amino-4-bromobenzamide In ethanol; water for 72h; Reflux; 9 Synthesis of Intermediate B65 To a solution of KOH (aq., 85 %) (0.58 g, 8.72 mmol) in absolute ethanol (10 mL) heated to 40- 45 °C was added carbon disulfide (0.55 mL, 9.1 mol). The reaction was stirred at 45-50 °C for 0.5 h and cooled to produce a suspension of xanthate salt. To the suspension was added 2-amino- 5-bromobenzamide (1.25 g, 5.8 mmol), followed by 95% ethanol (10 mL), then water (0.6 mL). The reaction mixture was heated to reflux for 72 h. A second suspension of xanthate salt was prepared using KOH (aq., 85 %) (0.259 g, 3.39 mmol), ethanol (5 mL) and carbon disulfide (0.245 ml, 4.05 mmol), and was added to the reaction mixture. The reaction mixture was heated to reflux for an additional 48 h. Subsequently, the reaction was allowed to cool to room temperature, then water (120 mL) was added, followed by 1 N NaOH (10 mL). The suspension was filtered to remove the solid, and the filter cake rinsed with water. The filtrate was cooled in ice, and to the filtrate was added glacial acetic acid (15 ml) was added. The resulting suspension was stirred for 16 h, and a precipitate formed that was collected by filtration, rinsed with water, and dried to afford 7-bromo-2-thioxo-2,3-dihydroquinazolin-4(1H)-one (0.640 mg, 43 %). LCMS (ES, m/z): 257.0, 259.0 [M+H] +.1H NMR (DMSO-d6, 400 MHz): δH 7.81 (1H, d, J = 8.5 Hz), 7.49 (1H, s), 7.44 (1H, dd, J = 8.4, 1.8 Hz).
  • 5
  • [ 1463501-47-4 ]
  • tert-butyl 4-(7-bromo-4-oxo-3,4-dihydroquinazolin-2-yl)piperazine-1-carboxylate [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1.1: sodium hydroxide / 0.08 h 1.2: 20 h / 20 °C 2.1: triethylamine / 1-methyl-pyrrolidin-2-one / 216 h
  • 6
  • [ 1463501-47-4 ]
  • tert-butyl 4-(7-(2,7-dimethyl-2H-indazol-5-yl)-4-oxo-3,4-dihydroquinazolin-2-yl)piperazine-1-carboxylate [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1.1: sodium hydroxide / 0.08 h 1.2: 20 h / 20 °C 2.1: triethylamine / 1-methyl-pyrrolidin-2-one / 216 h 3.1: caesium carbonate; dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2 / water / 16 h / 95 °C / Inert atmosphere
  • 7
  • [ 1463501-47-4 ]
  • 7-(2,7-dimethyl-2H-indazol-5-yl)-2-(piperazin-1-yl)quinazolin-4(3H)-one [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 4 steps 1.1: sodium hydroxide / 0.08 h 1.2: 20 h / 20 °C 2.1: triethylamine / 1-methyl-pyrrolidin-2-one / 216 h 3.1: caesium carbonate; dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2 / water / 16 h / 95 °C / Inert atmosphere 4.1: hydrogenchloride / 1,4-dioxane / 16 h
  • 8
  • [ 1463501-47-4 ]
  • 7-(2,7-dimethyl-2H-indazol-5-yl)-2-(4-methylpiperazin-1-yl)quinazolin-4(3H)-one [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 5 steps 1.1: sodium hydroxide / 0.08 h 1.2: 20 h / 20 °C 2.1: triethylamine / 1-methyl-pyrrolidin-2-one / 216 h 3.1: caesium carbonate; dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2 / water / 16 h / 95 °C / Inert atmosphere 4.1: hydrogenchloride / 1,4-dioxane / 16 h 5.1: sodium tris(acetoxy)borohydride / water; dichloromethane; ethanol / 2 h
  • 9
  • [ 1463501-47-4 ]
  • [ 74-88-4 ]
  • 7-bromo-2-(methylthio)quinazolin-4(3H)-one [ No CAS ]
YieldReaction ConditionsOperation in experiment
84% Stage #1: 7-bromo-2-thioxo-2,3-dihydroquinazolin-4(1H)-one With sodium hydroxide for 0.0833333h; Stage #2: methyl iodide at 20℃; for 20h; 9 Synthesis of Intermediate B66 A suspension of 7-bromo-2-thioxo-2,3-dihydroquinazolin-4(1H)-one (0.64 g, 2.49 mmol), in NaOH (0.5 N, 6.0 ml, 3.0 mmol) was sonicated to form a dispersion. The dispersion was stirred for 5 min, then CH3I (0.170 mL, 2.74 mmol) was added. The reaction mixture was stirred at room temperature for 20 h, then adjusted to pH 6-7 with 1 N HCl. The solid was collected by filtration, rinsed with water, and dried to afford 7-bromo-2-(methylthio)quinazolin-4(3H)-one (0.564 mg, 84 %) as a solid. LCMS (ES, m/z): 270.8, 272.8 [M+H]+.1H NMR (DMSO-d6, 400 MHz): δH 12.71 (1H, s), 7.92 (1H, d, J = 8.4 Hz), 7.72 (1H, s), 7.56 (1H, d, J = 8.5 Hz), 2.56 (3H, s).
  • 10
  • [ 76561-16-5 ]
  • [ 1463501-47-4 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1.1: ammonium carbonate / 1,4-dioxane / 16 h / 60 °C 2.1: potassium hydroxide; water / ethanol / 0.5 h / 40 - 50 °C 2.2: 72 h / Reflux
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