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Chemical Structure| 1046788-84-4 Chemical Structure| 1046788-84-4

Structure of 1046788-84-4

Chemical Structure| 1046788-84-4

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Product Details of [ 1046788-84-4 ]

CAS No. :1046788-84-4
Formula : C6H6ClFN2O
M.W : 176.58
SMILES Code : COCC1=NC=C(F)C(Cl)=N1

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Application In Synthesis of [ 1046788-84-4 ]

* 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 [ 1046788-84-4 ]

[ 1046788-84-4 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 398491-61-7 ]
  • [ 1046788-84-4 ]
  • [ 1046789-97-2 ]
YieldReaction ConditionsOperation in experiment
70% EXAMPLE N1 : 5-(r(2S,5R)-2,5-dimethyl-4-(tetrahvdro-2H-pyran-4- ylmethyl)piperazin-1-yllcarbonyl}-lambda/-r5-fluoro-2-(methoxymethyl)pyrimidin-4-yll-6,6-dimethyl-1 ,4,5,6-tetrahvdropyrrolor3.4-clpyrazol-3-amine.; Intermediate NKi): terf-butyl 3-[5-fluoro-2-(methoxymethyl)pyrimidin-4- yl]amino}-6,6-dimethyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5(1/-/)-carboxylate.; To a solution of terf-butyl 3-amino-6,6-dimethyl-4,6-dihydropyrrolo[3,4-c]pyrazole- 5(1/-/)-carboxylate (3.00 g, 11.6 mmol) and 4-chloro-5-fluoro-2- (methoxymethyl)pyrimidine (2.06 g, 11.6 mmol) in DMSO (8 mL) was added potassium dihygrogenphosphate (1.58 g, 2.3 mmol) followed by H3PO4 (0.29 g, 2.3 mmol). The reaction was place in a 90 0C oil bath and heated for 2Oh. The crude reaction was cooled to room temperature then poured into ice cold NaHCO3 (60 mL) and extracted with EtOAc (2 x 30 mL). The combined organic extracts were washed with brine then dried (MgSO4), filtered and concentrated. The crude solid was triturated with EtOAc to provide the title compound NKi) as a white solid (3.2 g, 70%). 1H NMR (300 MHz, DMSO-c/6) delta ppm 1.44 (s, 9 H), 1.59 <n="77"/>(S, 3 H), 1.61 (s, 3 H), 3.34 (s, 3 H), 4.29 - 4.44 (m, 2 H), 4.45 - 4.64 (m, 2 H),8.32 (d, J=3.20 Hz, 1 H), 10.25 (br. s., 1 H), 12.24 (br. s., 1 H). Mass Spectrum:Calcd for Ci8H25FN6O3 (M+H): 393. Found: 393.
 

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