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Chemical Structure| 67714-53-8 Chemical Structure| 67714-53-8

Structure of 67714-53-8

Chemical Structure| 67714-53-8

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Product Details of [ 67714-53-8 ]

CAS No. :67714-53-8
Formula : C8H11ClN2
M.W : 170.64
SMILES Code : CCC1=NC(Cl)=C(CC)N=C1
MDL No. :MFCD09265273

Safety of [ 67714-53-8 ]

GHS Pictogram:
Signal Word:Danger
Hazard Statements:H301-H311-H331
Precautionary Statements:P261-P264-P270-P271-P280-P302+P352-P304+P340-P310-P330-P361-P403+P233-P405-P501
Class:6.1
UN#:2811
Packing Group:

Application In Synthesis of [ 67714-53-8 ]

* 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 [ 67714-53-8 ]

[ 67714-53-8 ] Synthesis Path-Downstream   1~1

  • 1
  • tris(dibenzylideneacetone)dipalladium (0) [ No CAS ]
  • [ 136030-00-7 ]
  • [ 67714-53-8 ]
  • [ 224311-51-7 ]
  • [ 865-48-5 ]
  • [ 535934-27-1 ]
YieldReaction ConditionsOperation in experiment
184 mg (65%) With sodium hydrogencarbonate; In water; ethyl acetate; toluene; Preparation 1 (1R,2S)-1-[(3,6-diethylpyrazin-2-yl)amino]-2,3-dihydro-1H-inden-2-ol A solution of 3-chloro-2,5-diethylpyrazine (171 mg, 1.0 mmol), (1R,2S)-(+)-cis-1-amino-2-indanol (298 mg, 2.0 mmol), tris(dibenzylideneacetone)dipalladium (0) (28 mg, 0.03 mmol), and 2-(di-tertbutylphosphino)biphenyl (18 mg, 0.06 mmol) in toluene (2.0 mL) was purged with nitrogen and treated with sodium tertbutoxide (135 mg, 1.4 mmol). The resulting brown suspension was heated to 100° C. for 2 hours. At this time, the reaction was quenched with a saturated water solution of NaHCO3 and extracted twice with ethyl acetate (20 mL). The combined organics were washed with brine (15 mL), dried over MgSO4, filtered, and concentrated to give a black solid. This material was purified by biotage MPLC (40 g column, 25percent ethyl acetate/heptane) to afford 184 mg (65percent) of the title compound as a light purple solid. IR (diffuse reflectance) 3435, 3241, 2962, 2935, 2912, 2873, 1581, 1547, 1500, 1453, 1184, 1163, 1047, 744, 733 cm-1; OAMS supporting ions at: ESI+384.0; MS (CI) m/z 284 (MH+); HRMS (FAB) calcd for C17H21N3O +H1 284.1763, found 284.1754. [alpha]25D=12 (c 0.55, methylene chloride); Anal. Calcd for C17H21N3O: C, 72.06; H, 7.47; N, 14.83. Found: C, 72.15; H, 7.53; N, 14.42.
 

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