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Chemical Structure| 420844-59-3 Chemical Structure| 420844-59-3

Structure of 420844-59-3

Chemical Structure| 420844-59-3

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Product Details of [ 420844-59-3 ]

CAS No. :420844-59-3
Formula : C14H17F3N2O2
M.W : 302.29
SMILES Code : O=C(C1CCN(C2=NC=C(C(F)(F)F)C=C2)CC1)OCC
MDL No. :MFCD01471613
InChI Key :HHPGLUUYZIDFPW-UHFFFAOYSA-N
Pubchem ID :4737360

Safety of [ 420844-59-3 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H315-H319
Precautionary Statements:P501-P270-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330

Application In Synthesis of [ 420844-59-3 ]

* 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.

  • Upstream synthesis route of [ 420844-59-3 ]

[ 420844-59-3 ] Synthesis Path-Upstream   1~1

  • 1
  • [ 420844-59-3 ]
  • [ 406476-31-1 ]
YieldReaction ConditionsOperation in experiment
54%
Stage #1: With potassium hydroxide; water In methanol at 40℃; for 0.5 h;
The crude ethyl 1- [5- (trifluoromethyl) pyridin-2-yl] piperidine-4-carboxylate was dissolved in 15 ml of methanol and 2.5 ml of water. 535 mg (9.54 mmol) of potassium hydroxide were added and the mixture was reacted at 40°C for 30 min. The mixture was evaporated, the residue was dissolved in water, pH 3 was adjusted with 2N hydrochloric acid and the solid formed was filtered off and dried in vacuo to yield 471 mg (54 percent yield) of 1- [5- (trifluoromethyl) pyridin-2-yl] piperidine-4- carboxylic acid. 'H NMR (DMSO-d6) 8 1.42-1. 60 (m, 2H), 1. 81-1. 93 (m, 2H), 2.50-2. 62 (m, 1H), 3.00-3. 14 (m, 2H), 4.21-4. 36 (m, 2H), 6.95 (d, 1H), 7.75 (dd, 1H), 8. 38 (d, 1H), 12.25 (s, 1H). Molecular weight: 274.24 MS: m/z = 275 (M+H) +
References: [1] Patent: WO2005/40119, 2005, A1, . Location in patent: Page/Page column 43.
 

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