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Chemical Structure| 1110772-22-9 Chemical Structure| 1110772-22-9

Structure of 1110772-22-9

Chemical Structure| 1110772-22-9

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Product Details of [ 1110772-22-9 ]

CAS No. :1110772-22-9
Formula : C6H13NO
M.W : 115.17
SMILES Code : O[C@H]1C[C@@H](N)CCC1
MDL No. :MFCD19237868

Safety of [ 1110772-22-9 ]

GHS Pictogram:
Signal Word:Danger
Hazard Statements:H302-H314-H317-H410
Precautionary Statements:P264-P270-P271-P272-P280-P303+P361+P353-P304+P340-P305+P351+P338-P310-P330-P331-P363-P403+P233-P501
Class:9
UN#:3077
Packing Group:

Application In Synthesis of [ 1110772-22-9 ]

* 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 [ 1110772-22-9 ]

[ 1110772-22-9 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 1110772-22-9 ]
  • [ 3177-24-0 ]
  • [ 1403864-67-4 ]
  • [ 1403864-68-5 ]
YieldReaction ConditionsOperation in experiment
46%; 20% With N-ethyl-N,N-diisopropylamine; In ethanol; at -60 - 20℃; 2,4-Dichloropyrimidine-5-carbonitrile (900 mg, 5.17 mmol) in anhydrous ethanol (5 mL) and (li?,35)-3-amino-cyclohexanol (624 mg, 5.43 mmol; prepared as described in Tetrahedron: Asymmetry 15 (2004) 2051-2056) in anhydrous ethanol (5 mL) were mixed at -60 °C and then DIEA (1.0 g, 7.75 mmol) was added dropwise. The mixture was stirred at -60 °C for 1 h and then at room temperature overnight. Volatile fractions were removed and the residue was purified on silica gel (eluting with 9.1percent>-33 > ethyl acetate in petroleum ether) to give 4-chloro-2-((lR,3S)-3 -hydroxy cyclohexylamino)- pyrimidine-5 -carbonitrile (600 mg, 2.38 mmol, yield 46percent) as a white solid and 2-chloro-4- ((lR,3S)-3 -hydroxy cyclohexylamino)pyrimidine-5 -carbonitrile (270 mg, 1.07 mmol, yield20percent; 1H NMR (400 MHz, DMSO-d6) delta ppm 8.55 (s, 1 H), 8.46 (d, J=7.81 Hz, 1 H), 4.83 (d, J=3.90 Hz, 1 H), 3.95 - 4.11 (m, 1 H), 3.45 - 3.61 (m, 1 H), 1.93 (d, J=11.71 Hz, 1 H),- 129 -ATI-2514175vl 1.60 - 1.84 (m, 3 H), 1.03 - 1.50 (m, 4 H); MS (ESI) m/z 253.2 [M+l ) as a white solid.
 

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