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Structure of 186650-98-6

Chemical Structure| 186650-98-6

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Product Details of [ 186650-98-6 ]

CAS No. :186650-98-6
Formula : C16H21N3O2
M.W : 287.36
SMILES Code : O=C(N1CCN(C2=CC=C(C#N)C=C2)CC1)OC(C)(C)C
MDL No. :MFCD03791198
InChI Key :WIBWVYVIBJOVIW-UHFFFAOYSA-N
Pubchem ID :2795512

Safety of [ 186650-98-6 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H312-H315-H319-H332-H335
Precautionary Statements:P261-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338

Application In Synthesis of [ 186650-98-6 ]

* 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 [ 186650-98-6 ]

[ 186650-98-6 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 186650-98-6 ]
  • [ 852180-47-3 ]
YieldReaction ConditionsOperation in experiment
100% With hydrogen; In methanol; at 20℃; under 2327.23 Torr; for 4h; To a solution of G1 (1.00 g, 3.50 mmol) in MeOH (50 mL) was added Raney-Ni (0.50 g). The suspension was degassed under vacuum and purged with H2 for three times. The reaction mixture was stirred at 20 C for 4 hours under H2 atmosphere (45 psi). LCMS showed the reaction was completed. The reaction mixture was filtrated and the filtrate was concentrated under reduced pressure and purified by silica gel column (eluent: EtOAc/PE = 3/1 to EtOAc, 1% TEA as additive) to afford 1.00 g (yield: 100%) of compound G2 as a white powder.
99% With ammonia; hydrogen; In methanol; at 20℃; for 16h; Under hydrogen, N-Boc-4- (4-cyanophenyl) piperazine (1 g, 3.48 mmol), ammonia (1 mL) and Raney nickel (50 mg) were added to methanol (10 mL). The reaction system was at room temperature. Stir for 16 hours.Filtration and concentration of the filtrate to dryness gave 1-N-Boc-4- (4- (aminomethyl) phenyl) piperazine (9A, 1 g, yield: 99%) as a white solid.
With hydrogen; In methanol; To a stirred solution of 14f (1.55mmol) in methanol (10mL) was added a portion of Raney-Ni and the mixture was stirred for 4h under H2 atmosphere. The reaction mixture was filtered by cellite and the filtrate was concentrated. The crude residue was purified by flash column chromatography (methylene chloride:MeOH=20:1) to give 23.
 

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