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Chemical Structure| 4251-63-2 Chemical Structure| 4251-63-2

Structure of 4251-63-2

Chemical Structure| 4251-63-2

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Product Details of [ 4251-63-2 ]

CAS No. :4251-63-2
Formula : C8H7ClO
M.W : 154.59
SMILES Code : O=CCC1=CC=CC=C1Cl
MDL No. :MFCD02261730
InChI Key :NTLKDYQFUMXRNF-UHFFFAOYSA-N
Pubchem ID :11378624

Safety of [ 4251-63-2 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H315-H319-H335
Precautionary Statements:P261-P305+P351+P338

Application In Synthesis of [ 4251-63-2 ]

* 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 [ 4251-63-2 ]

[ 4251-63-2 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 4251-63-2 ]
  • [ 2972-52-3 ]
  • 2-chloro-6-(2-chlorophenyl)-5H-pyrano[2,3-d]pyrimidin-5-one [ No CAS ]
YieldReaction ConditionsOperation in experiment
14% A solution of 2-(2-chlorophenyl)acetaldehyde (730 mg, 4.7 mmol) in anhydrous THF (6 mL) was cooled to 0 C followed by the dropwise addition of tert-butylmagnesium chloride (2 M in diethyl ether, 4.7 mL, 9.5 mmol) and stirring at RT for 10 mm.The resulting suspension was re-cooled to 0 C before the dropwise addition of a solution of <strong>[2972-52-3]2,4-dichloropyrimidine-5-carbonyl chloride</strong> (1.00 g, 4.7 mmcl) in anhydrous THF (3 mL) . The reaction mixture was stirred at RT for 60 mm, then quenched by the addition of water (20 mL), neutralised with a few drops of citric acid (aq)solution and extracted into ethyl acetate (3 x 20 mL) The combined organic phases were dried over Na2SO4, filtered and concentrated to dryness under reduced pressure. The residue was purified by flash chromatography (10-50%, EtOAc in cyclohexane) to give thetitle compound (190 mg, 14%) as a brown solid. ‘H NMR(500 MHz, CDC13) : 6 9.45 (s, 1H) , 8.01 (s, 1H) , 7.51 (dd,1H), 7.40 (td, 1H), 7.35 (td, 1H), 7.30 (dd, 1H) . LCMS(Method A) : = 1.19 mi m/z = 293, 295 [M+H].
 

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