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Chemical Structure| 40807-61-2 Chemical Structure| 40807-61-2

Structure of 40807-61-2

Chemical Structure| 40807-61-2

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Product Details of [ 40807-61-2 ]

CAS No. :40807-61-2
Formula : C11H15NO
M.W : 177.24
SMILES Code : OC1(C2=CC=CC=C2)CCNCC1
MDL No. :MFCD00006000
InChI Key :KQKFQBTWXOGINC-UHFFFAOYSA-N
Pubchem ID :96387

Safety of [ 40807-61-2 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H315-H319-H335
Precautionary Statements:P261-P305+P351+P338

Application In Synthesis of [ 40807-61-2 ]

* 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 [ 40807-61-2 ]

[ 40807-61-2 ] Synthesis Path-Downstream   1~6

  • 1
  • [ 24686-78-0 ]
  • phenylmagnesium bromide [ No CAS ]
  • [ 40807-61-2 ]
  • 2
  • [ 40807-61-2 ]
  • (2S,4EZ)-1(tert-butoxycarbonyl)-4-(methoxyimino)-2-pyrrolidinecarboxylic acid [ No CAS ]
  • N-benzyl-1-(diphenylacetyl)-4-(methoxyimino)-2-pyrrolidinecarboxamide [ No CAS ]
  • [ 4385-76-6 ]
  • (3EZ,5S)-5-[(4-hydroxy-4-phenyl-1-piperidinyl)carbonyl]-1-[4-(4-pyridinyl)benzoyl]-3-pyrrolidinone O-methyloxime [ No CAS ]
YieldReaction ConditionsOperation in experiment
(3EZ,5S)-5-[(4-hydroxy-4-phenyl-1-piperdinyl]carbonyl]-1-[4-(4-pyridinyl)benzoyl]-3-pyrrolidinone O-methyloxime Following the general method as outlined in Example 22, starting from (2S,4EZ)-1-(tert-butoxycarbonyl)-4-(methoxyimino)-2-pyrrolidinecarboxylic acid, <strong>[4385-76-6]4-(4-pyridinyl)benzoic acid</strong>, and 4-phenyl-4-piperidinol, the title compound was obtained in 78percent purity by HPLC. MS(ESI+): m/z=499.
  • 3
  • [ 40807-61-2 ]
  • [ 58656-98-7 ]
  • tert-butyl 4-(4-hydroxy-4-phenylpiperidin-1-yl)benzoate [ No CAS ]
YieldReaction ConditionsOperation in experiment
With potassium carbonate; In dimethyl sulfoxide; tert-butyl 4-(4-hydroxy-4-phenylpiperidin-1-yl)benzoate A solution of 4-hydroxy-4-phenyl piperidine (221 mg, 1.25 mmol) in DMSO (1 mL) was treated with <strong>[58656-98-7]tert-butyl-4-fluorobenzoate</strong> (196 mg, 1.00 mmol) and powdered potassium carbonate (173 mg, 1.25 mmol), stirred vigorously at 125 C. for 16 hours, cooled to room temperature, diluted with diethyl ether, washed with brine, dried (MgSO4), filtered, and concentrated to provide the desired product. MS (DCI(+)) m/e 354 (M+H)+.
  • 4
  • [ 40807-61-2 ]
  • (3R*,4R*)-3-hydroxy-4-phenylpiperidine [ No CAS ]
  • [ 1000931-04-3 ]
YieldReaction ConditionsOperation in experiment
(a) From 4-phenyl-piperidin-4-ol there was obtained by elimination 4-phenyl-1,2,3,6-tetrahydro-pyridine as a light yellow oil; MS: 159 (M)+. Subsequent hydroboration gave (3RS,4RS)-4-phenyl-piperidin-3-ol as a colourless solid; MS: 177 (M)+. Introduction of the BOC group yielded tert-butyl (3RS,4RS)-3-hydroxy-4-phenyl-piperidine-1-carboxylate as a colourless solid; MS: 277 (M)+.
  • 5
  • [ 40807-61-2 ]
  • [ 546-43-0 ]
  • C26H35NO3 [ No CAS ]
  • 6
  • [ 642459-09-4 ]
  • [ 40807-61-2 ]
  • 1-(6-(1H-pyrazol-1-yl)pyrazin-2-yl)-4-phenylpiperidin-4-ol [ No CAS ]
YieldReaction ConditionsOperation in experiment
37% With potassium carbonate; In N,N-dimethyl acetamide; at 90℃; for 1h; 4- phenylpiperidin-4-ol (42.1 mg, 238 mmol), 2-chloro-6-(lH-pyrazol-l-yl)pyrazine (36 mg, 199 pmol), and potassium carbonate (55.0 mg, 398 pmol) were combined in DMA (500 pL) and heated to 90 C for lh. The reaction was cooled to RT and directly purified by reverse phase chromatography (Biotage 30g C18 cartridge; 5-90% ACN in water + 0.1% TFA). The fractions containing product were concentrated. The residue was taken up in DCM and the organic layer was washed with saturated aqueous NaHCO3 solution. The organic layer was then dried over Na2S04, filtered and concentrated to afford the title compound (23.7 mg, 37%). LCMS: m/z = 322.2 [M+l]
 

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