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Chemical Structure| 114433-94-2 Chemical Structure| 114433-94-2

Structure of 114433-94-2

Chemical Structure| 114433-94-2

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Product Details of [ 114433-94-2 ]

CAS No. :114433-94-2
Formula : C12H13FO2
M.W : 208.23
SMILES Code : CC(C)C(CC(C1=CC=C(F)C=C1)=O)=O
MDL No. :MFCD11520125

Safety of [ 114433-94-2 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H315-H319-H335
Precautionary Statements:P261-P280-P301+P312-P302+P352-P305+P351+P338

Application In Synthesis of [ 114433-94-2 ]

* 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 [ 114433-94-2 ]

[ 114433-94-2 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 7504-94-1 ]
  • [ 114433-94-2 ]
  • 2-[5-(4-fluorophenyl)-3-(l-methylethyl)-1H-pyrazol-1-yl]-pyrimidine [ No CAS ]
YieldReaction ConditionsOperation in experiment
In acetic acid; Step A--Preparation of 2-[5-(4-Fluorophenyl)-3-(1-methylethyl)-1H-pyrazol-1-yl]pyrimidine To a solution of 1-(4-fluorophenyl)-4-methyl-1,3-pentanedione (preparation disclosed in Example 1, Step A) (155 g, 0.74 mol) in 1 l glacial acetic acid was added, under a N2 atmosphere at room temperature, 90 g (0.82 mol) of 2-hydrazinopyrimidine (prepared according to J. Chesterfield et al., J. Chem. Soc., 3478, 1955). This was heated to 60 C. for one hour, cooled to room temperature and poured into 4 l saturated NaHCO3 aqueous solution. The resulting mixture was extracted with EtOAc and the organic layer was separated and washed with water and brine. This solution was dried over MgSO4, filtered and concentrated in vacuo. The crude reaction mixture was flash chromatographed on a silica gel column, eluding with 10% EtOAc-toluene yielding 16.4 g of 2-[5-(4-fluorophenyl)-3-(1-methylethyl)-1H-pyrazol-1-yl]pyrimidine and 94 g of 5(3)-4-fluorophenyl)-3(5)-(1-methylethyl)-1H-pyrazole, mp 102-103 C. 90 MHz (CDCl3) NMR data for both compounds was as follows: Compound (1): delta8.5 (d, 2H), 6.8-7.3 (m, 5H), 6.2 (s, 1H), 3.1 (m, 1H), and 1.3 (d, 6H) ppm Compound (2): delta 7.5 (m, 2H), 6.7-7.1 (m, 2H), 6.1 (s, 1H), 2.8 (m, 1H), and 1.1 (d, 6H) ppm.
 

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