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[ CAS No. 210962-44-0 ]

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2D
Chemical Structure| 210962-44-0
Chemical Structure| 210962-44-0
Structure of 210962-44-0 *Storage: {[proInfo.prStorage]}

Quality Control of [ 210962-44-0 ]

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Related Doc. of [ 210962-44-0 ]

SDS

Product Details of [ 210962-44-0 ]

CAS No. :210962-44-0MDL No. :MFCD13184258
Formula :C19H27NO5Boiling Point :459.0±35.0°C at 760 mmHg
Linear Structure Formula :-InChI Key :N/A
M.W :349.42Pubchem ID :11783050
Synonyms :

Computed Properties of [ 210962-44-0 ]

TPSA : 65.1 H-Bond Acceptor Count : 5
XLogP3 : 3.6 H-Bond Donor Count : 0
SP3 : 0.58 Rotatable Bond Count : 7

Safety of [ 210962-44-0 ]

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

Application In Synthesis of [ 210962-44-0 ]

  • Upstream synthesis route of [ 210962-44-0 ]

[ 210962-44-0 ] Synthesis Path-Upstream   1~2

  • 1
  • [ 120-47-8 ]
  • [ 109384-19-2 ]
  • [ 210962-44-0 ]
YieldReaction ConditionsOperation in experiment
85.6% With triphenylphosphine; diethylazodicarboxylate In tetrahydrofuran; toluene at 0 - 20℃; for 24.00 h; Step 1
To a solution of DEAD (12.3 mL, 27.08 mmol)(40percent in toluene)was added to a mixture of ethyl 4-hydroxybenzoate (XIII)(3.0 g, 18.05 mmol), tert-butyl 4-hydroxypiperidine-1-carboxylate (XI)(4.72 g, 23.47 mmol)and triphenylphosphane (6.16 g, 23.47 mmol)in THF (40 mL)at 0° C.
The mixture was stirred from 0° C. to room temperature over 1 day before concentrating in vacuo.
The residue was diluted with EtOAc, washed with 1 N NaOH and brine, and then evaporated under vacuum.
The crude product was purified by chromatography (0→30percent EtOAc/hexanes)to give tert-butyl 4-(4-ethoxycarbonylphenoxy)piperidine-1-carboxylate (XIV)(5.4 g, 15.45 mmol, 85.6percent yield)as a colorless oil. ESIMS found for C19H27NO5 m/z 372.1 (M+Na).
62% With di-isopropyl azodicarboxylate; triphenylphosphine In tetrahydrofuran at 0℃; for 24.00 h; Reference Example 1:4-[(1-Cyclopentyl-4-piperidinyl)oxy]benzaldehyde (1) Production of tert-butyl 4-[4-(ethoxycarbonyl)phenoxy]tetrahydro-1(2H)-pyridinecarboxylate: Ethyl 4-hydroxybenzoate (4.15 g, 25.0 mmol), tert-butyl 4-hydroxytetrahydro-1(2H)-pyridinecarboxylate (5.0 g, 25.0 mmol) and triphenyl phosphine (7.87 g, 30.0 mmol) were dissolved in tetrahydrofuran (50 mL), and with stirring at 0°C, diisopropyl azodicarboxylate (6.06 g, 30.0 mmol) was added thereto and stirred for 24 hours. The reaction solution was concentrated, and the precipitated white solid was taken out through filtration and washed with ethyl acetate. The mother liquid was washed with aqueous 1 N sodium hydroxide solution and saturated saline water in that order, and the organic layer was dried with magnesium sulfate. The solvent was evaporated off, and the residue was purified through silica gel column chromatography (hexane/ethyl acetate = 9/1) to obtain the intended compound (5.45 g, 62 percent) as a colorless solid.
39% With di-isopropyl azodicarboxylate; triphenylphosphine In tetrahydrofuran at 0 - 20℃; for 16.00 h; Step A: tert-Butyl-4-(4-carboxyethylphenyloxy)- 1 -piperidinecarboxylateTo a pre-cooled (00C) suspension of ethyl 4-hydroxybenzoate (10.0 g, 60.2, mmol), 1- tert-butoxycarconyl 4-hydroxypiperidine (12.1 g, 60.1 mmol), and triphenylphosphine (15.8 g, 60.2 mmol) in THF is added diisopropyl azodocarboxylate (11.6 g, 60.1 mmol).The mixture is allowed to come to rt, stirred for 16 h, diluted with ethyl acetate, washed with water, sodium bicarbonate (saturated, aqueous), dried over sodium sulfate, filtered and evaporated in vacuo. The crude product is purified on silica to give the desired product (8.27 g, 39 percent).
Reference: [1] Patent: US2017/313682, 2017, A1. Location in patent: Paragraph 0702; 0703
[2] Patent: EP1757594, 2007, A1. Location in patent: Page/Page column 72-73
[3] Journal of Medicinal Chemistry, 2003, vol. 46, # 10, p. 1845 - 1857
[4] Patent: WO2007/106705, 2007, A1. Location in patent: Page/Page column 115
  • 2
  • [ 120-47-8 ]
  • [ 109384-19-2 ]
  • [ 1972-28-7 ]
  • [ 210962-44-0 ]
Reference: [1] Patent: US2001/56123, 2001, A1
[2] Patent: EP976722, 2000, A1
[3] Patent: EP1065200, 2001, A1
[4] Patent: EP976722, 2000, A1
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