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[ CAS No. 255051-14-0 ]

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2D
Chemical Structure| 255051-14-0
Chemical Structure| 255051-14-0
Structure of 255051-14-0 *Storage: {[proInfo.prStorage]}

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Product Details of [ 255051-14-0 ]

CAS No. :255051-14-0MDL No. :MFCD02178914
Formula : C12H15ClF3N Boiling Point : 305.1°C at 760 mmHg
Linear Structure Formula :-InChI Key :-
M.W :265.70Pubchem ID :21936970
Synonyms :

Computed Properties of [ 255051-14-0 ]

TPSA : 12 H-Bond Acceptor Count : 4
XLogP3 : - H-Bond Donor Count : 2
SP3 : 0.50 Rotatable Bond Count : 1

Safety of [ 255051-14-0 ]

Signal Word:WarningClass:N/A
Precautionary Statements:P261-P305+P351+P338UN#:N/A
Hazard Statements:H302-H315-H319-H335Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 255051-14-0 ]

  • Upstream synthesis route of [ 255051-14-0 ]
  • Downstream synthetic route of [ 255051-14-0 ]

[ 255051-14-0 ] Synthesis Path-Upstream   1~6

  • 1
  • [ 308823-90-7 ]
  • [ 255051-14-0 ]
YieldReaction ConditionsOperation in experiment
99% With hydrogenchloride In 1,4-dioxane; acetonitrile at 20℃; for 0.166667 h; Preparation 4- (2- (TrifluoromethyDphenyDpiperidine Hydrochloride (5) Step D: To a solution of 4- (2- (trifluoromethyl) henyl (piperidine (4, 5.6 g, 24.5 mmol) in CCN (30 mL) was added a 4 M solution of HC1 in 1, 4-dioxane (6.1 mL, 24.5 mmol) at ambient temperature. The mixture stirred for 10 minutes and was then concentrated under reduced pressure to give 4- (2- ( tri fluoromethyl) henyl) ipe idine hydrochloride as a white solid (6.4 g, >99percent) ; MS (ESI+) /z 230 [ M + H] * .
Reference: [1] Patent: WO2014/152013, 2014, A1, . Location in patent: Page/Page column 103; 104
[2] Journal of Medicinal Chemistry, 2014, vol. 57, # 18, p. 7731 - 7757
[3] Journal of Medicinal Chemistry, 2015, vol. 58, # 15, p. 5863 - 5888
  • 2
  • [ 1370256-36-2 ]
  • [ 255051-14-0 ]
YieldReaction ConditionsOperation in experiment
60% With palladium 10% on activated carbon; hydrogen In methanol for 12 h; General procedure: The starting material (either 1-benzyl-4-aryl-1,2,3,6-tetrahydropyridine, its hydrochloride salt; or 4-aryl-1,2,3,6-tetrahydropyridinium chloride) (1 mmol) was dissolved in the specified alcohol (10 mL) and stirred vigorously under an atmosphere of hydrogen in the presence of 10percent palladium on carbon (0.1 molar equivalents). The progress of the reaction was monitored by TLC (10percent methanol / chloroform with 1percent ammonia) every 12 h and, if incomplete, additional palladium on carbon (0.01 molar equivalents) was added. When the starting material had been completely consumed (TLC, Rf usually 0.75-0.95 for the 1-benzyl compounds, Rf usually 0.15-0.25 for the tetrahydropyridines) and the presence of the desired product was evident (TLC, Rf usually 0.1-0.2) the reaction was worked up by filtration through Celite followed by rinsing with the alcohol used (2 .x. 5 mL) and removing all solvent in vacuo to give the title compound as a solid. If the final product was deemed pure enough for initial biological evaluation (>95percent by HPLC), it was dried under vacuum in the presence of phosphorous pentoxide. If the final product was not sufficiently pure enough for initial testing (<95percent by HPLC), it was either recrystallized or subject to preparative HPLC as described in the specific procedure below.
Reference: [1] Bioorganic and Medicinal Chemistry Letters, 2012, vol. 22, # 7, p. 2560 - 2564
  • 3
  • [ 821768-10-9 ]
  • [ 255051-14-0 ]
Reference: [1] Bioorganic and Medicinal Chemistry Letters, 2012, vol. 22, # 7, p. 2560 - 2564
[2] Patent: WO2014/152013, 2014, A1,
[3] Journal of Medicinal Chemistry, 2014, vol. 57, # 18, p. 7731 - 7757
[4] Journal of Medicinal Chemistry, 2015, vol. 58, # 15, p. 5863 - 5888
  • 4
  • [ 3612-20-2 ]
  • [ 255051-14-0 ]
Reference: [1] Bioorganic and Medicinal Chemistry Letters, 2012, vol. 22, # 7, p. 2560 - 2564
[2] Patent: WO2014/152013, 2014, A1,
[3] Journal of Medicinal Chemistry, 2014, vol. 57, # 18, p. 7731 - 7757
[4] Journal of Medicinal Chemistry, 2015, vol. 58, # 15, p. 5863 - 5888
  • 5
  • [ 208989-32-6 ]
  • [ 255051-14-0 ]
Reference: [1] Bioorganic and Medicinal Chemistry Letters, 2012, vol. 22, # 7, p. 2560 - 2564
[2] Patent: WO2014/152013, 2014, A1,
[3] Journal of Medicinal Chemistry, 2014, vol. 57, # 18, p. 7731 - 7757
[4] Journal of Medicinal Chemistry, 2015, vol. 58, # 15, p. 5863 - 5888
  • 6
  • [ 392-83-6 ]
  • [ 255051-14-0 ]
Reference: [1] Bioorganic and Medicinal Chemistry Letters, 2012, vol. 22, # 7, p. 2560 - 2564
[2] Patent: WO2014/152013, 2014, A1,
[3] Journal of Medicinal Chemistry, 2014, vol. 57, # 18, p. 7731 - 7757
[4] Journal of Medicinal Chemistry, 2015, vol. 58, # 15, p. 5863 - 5888
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