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Chemical Structure| 1261629-31-5 Chemical Structure| 1261629-31-5

Structure of 1261629-31-5

Chemical Structure| 1261629-31-5

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Product Details of [ 1261629-31-5 ]

CAS No. :1261629-31-5
Formula : C5H3ClF2N2
M.W : 164.54
SMILES Code : FC(C1=NC(Cl)=NC=C1)F
MDL No. :MFCD18415621
InChI Key :YYTUPWKEZBXDOA-UHFFFAOYSA-N
Pubchem ID :71742924

Safety of [ 1261629-31-5 ]

GHS Pictogram:
Signal Word:Danger
Hazard Statements:H302-H314
Precautionary Statements:P264-P270-P271-P280-P303+P361+P353-P304+P340-P305+P351+P338-P310-P330-P331-P363-P403+P233-P501
Class:8
UN#:3265
Packing Group:

Application In Synthesis of [ 1261629-31-5 ]

* 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 [ 1261629-31-5 ]

[ 1261629-31-5 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 1261629-31-5 ]
  • [ 108-24-7 ]
  • [ 591-19-5 ]
  • [ 621-38-5 ]
  • N-(3-bromophenyl)-4-(difluoromethyl)pyrimidin-2-amine [ No CAS ]
YieldReaction ConditionsOperation in experiment
Preparative Example 1.53 N-(3-Bromophenyl)-4-(difluoromethyl e 2-Chloro-4-(difluoromethyl)pyrimidine (69 wt% in DCM, 24.2 g, 101 mmol) was diluted with 1,4-dioxane (200 niL) to which was added 3-bromoaniline (14.9 niL, 137 mmol) followed by methanesulfonic acid (8.89 niL, 137 mmol). The resulting mixture was heated to an internal temperature of 95 C where it was stirred for 10 h at which point the reaction mixture was cooled to room temperature and diluted with dichloromethane and water. NaOH (IN) was added until the pH of the aq layer was ~7, the layers were separated and the aqueous layer was extracted a second time with additional of dichloromethane. The combined organics were dried with anhydrous magnesium sulfate, filtered, and concentrated under reduced pressure. To facilitate purification, the crude residue was diluted with dichloromethane (200 mL) and DMAP (0.84 g, 6.84 mmol) followed by acetic anhydride (3.87 mL, 41.1 mmol) were added. After stirring for 30 min all excess 3-bromoaniline had been acetylated, silica gel was added and the mixture concentrated under reduced pressure and the desired product isolated by purification by column chromatography on silida (0 to 100% EtO Ac/Hex) to afford N-(3-bromophenyl)-4- (difluoromethyl)pyrimidin-2-amine as a white solid, MS ESI calcd. for [M + H] 300, found 300. NMR (600 MHz, DMSO-d6) delta 10.15 (s, 1H), 8.71 (d, J = 4.9 Hz, 1H), 8.06 (s, 1H), 7.70 (dd, J = 8.2, 1.3 Hz, 1H), 7.22 (t, J = 8.1 Hz, 1H), 7.12 (d, J= 7.9 Hz, 1H), 7.09 (d, J= 4.9 Hz, 1H), 6.85 (t, J= 54.4 Hz, 1H).
 

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