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Chemical Structure| 3095-47-4 Chemical Structure| 3095-47-4

Structure of 3095-47-4

Chemical Structure| 3095-47-4

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Product Details of [ 3095-47-4 ]

CAS No. :3095-47-4
Formula : C11H15NO2
M.W : 193.24
SMILES Code : O=C(OCC)C1=CC(C)=C(N)C(C)=C1
MDL No. :MFCD01660411
InChI Key :GEMKGDSDLYAIRK-UHFFFAOYSA-N
Pubchem ID :201013

Safety of [ 3095-47-4 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H315-H319-H335
Precautionary Statements:P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P362-P403+P233-P501

Application In Synthesis of [ 3095-47-4 ]

* 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 [ 3095-47-4 ]

[ 3095-47-4 ] Synthesis Path-Downstream   1~3

  • 1
  • [ 3095-47-4 ]
  • [ 500287-72-9 ]
  • 2
  • [ 5467-57-2 ]
  • [ 3095-47-4 ]
  • ethyl 4-[(2-chloroquinoline-4-carbonyl)amino]-3,5-dimethyl-benzoate [ No CAS ]
YieldReaction ConditionsOperation in experiment
25% To a solution of <strong>[5467-57-2]2-chloroquinoline-4-carboxylic acid</strong> (1.07 g, 5.17 mmol) in CH2CI2 (15 ml) at 0°C are added ethyl 4-amino-3,5-dimethyl-benzoate (1.00 g, 5.17 mmol), and N,N-diisopropylethylamine (2.26 ml, 12.94 mmol). After stirring the reaction mixture for 10 minutes, 1 -propanephosphonic acid cyclic anhydride (50percent solution in ethyl acetate, 3.70 ml, 6.21 mmol) is added via syringe. The reaction mixture is stirred at ambient temperature for 24 hours, diluted with water, and extracted with EtOAc. The combined organic layers are dried over magnesium sulfate, filtered, and concentrated under reduced pressure. The resulting residue is triturated with MeOH and filtered. The filtrate is purified by high pH reverse phase chromatography (0-100percent lOmM ammonium bicarbonate in water with 5percent MeOH/CH3CN) to give the title compound as white solid (0.49 g, 25 percent). Mass spectrum (m/z): 383.1 (M+H)+.
  • 3
  • [ 40800-65-5 ]
  • [ 3095-47-4 ]
 

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