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Chemical Structure| 52313-46-9 Chemical Structure| 52313-46-9

Structure of 52313-46-9

Chemical Structure| 52313-46-9

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Product Details of [ 52313-46-9 ]

CAS No. :52313-46-9
Formula : C14H16O4
M.W : 248.27
SMILES Code : CC(C(C(OCC)=O)CC(C1=CC=CC=C1)=O)=O
MDL No. :MFCD00221062

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Application In Synthesis of [ 52313-46-9 ]

* 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 [ 52313-46-9 ]

[ 52313-46-9 ] Synthesis Path-Downstream   1~3

  • 1
  • [ 52313-46-9 ]
  • [ 35216-39-8 ]
  • 1-(3-Methanesulfonylphenyl)-2-methyl-5-phenyl-1H-pyrrole-3-carboxylic acid ethyl ester [ No CAS ]
YieldReaction ConditionsOperation in experiment
With toluene-4-sulfonic acid; triethylamine; In ethanol; chloroform; EXAMPLE 10 Preparation of 1-(3-Methanesulfonylphenyl)-2-methyl-5-phenyl-1H-pyrrole-3-carboxylic acid ethyl ester 3-Methylsulfonylaniline (1.4 mmol, 0.3 g), 3-oxo-2-(2-oxo-2-phenyl-ethyl)-butyric acid ethyl ester (1.4 mmol, 0.35 g), triethylamine (1.4 mmol, 0.14 g), and tosic acid (0.1 g) were combined in ethanol, then heated under reflux. The resulting oil was resuspended in chloroform, then washed with water, 5% sodium bicarbonate, and brine. The organic layer was dried over NaSO4, then the solids were separated and the solvents removed under vacuum. The crude material was purified over silica gel to yield the named product as an oil. The structure of the compound was verified by 1H-NMR (CDCl3, ppm): 1.36 t (3H), 2.45 s (3H), 2.82 s (3H), 4.3 q (2H), and 6.8-7.2 m (9H).
  • 2
  • [ 52313-46-9 ]
  • [ 3575-32-4 ]
  • [ 347884-83-7 ]
YieldReaction ConditionsOperation in experiment
With toluene-4-sulfonic acid; triethylamine; In ethanol; dichloromethane; EXAMPLE 1 Preparation of 1-(3-Dimethylaminophenyl)-2-methyl-5-phenyl-1H-pyrrole-3-carboxylic acid ethyl ester <strong>[3575-32-4]N,N-dimethyl-1,3-phenylenediamine dihydrochloride</strong> (5 mmol, 1.09), triethylamine (10 mmol, 1.4 mL), 3-oxo-2-(2-oxo-2-phenyl-ethyl)-butyric acid ethyl ester (5 mmol, 1.2 g), and tosic acid (0.1 g) were combined in ethanol (25 mL), then heated under reflux (12 hrs). The solvents were removed under vacuum, the resulting oil was redissolved in methylene chloride, then applied to a silica column. The purified product was collected as a translucent oil. The named compound was identified by 1H-NMR (CDCl3, ppm) 1.28 t (3H), 2.35 s (3H), 2.77 s (6H), 4.2 q (2H), 6.3-6.7 m (4H), and 7.0-7.3 m (5H).
  • 3
  • [ 52313-46-9 ]
  • [ 15205-15-9 ]
  • C21H19ClFNO2 [ No CAS ]
 

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