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[ CAS No. 36476-87-6 ]

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2D
Chemical Structure| 36476-87-6
Chemical Structure| 36476-87-6
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Product Details of [ 36476-87-6 ]

CAS No. :36476-87-6MDL No. :MFCD01566539
Formula : C17H17NO2 Boiling Point : 410.2°C at 760 mmHg
Linear Structure Formula :-InChI Key :N/A
M.W :267.32Pubchem ID :-
Synonyms :

Computed Properties of [ 36476-87-6 ]

TPSA : - H-Bond Acceptor Count : -
XLogP3 : - H-Bond Donor Count : -
SP3 : - Rotatable Bond Count : -

Safety of [ 36476-87-6 ]

Signal Word:WarningClass:N/A
Precautionary Statements:P261-P301+P312-P302+P352-P304+P340-P305+P351+P338UN#:N/A
Hazard Statements:H302-H315-H319-H335Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 36476-87-6 ]

  • Upstream synthesis route of [ 36476-87-6 ]
  • Downstream synthetic route of [ 36476-87-6 ]

[ 36476-87-6 ] Synthesis Path-Upstream   1~2

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YieldReaction ConditionsOperation in experiment
80.8% With potassium carbonate In N,N-dimethyl-formamide at 20℃; for 20.5 h; Potassium carbonate (6.53 g) and iodomethane (0.976 ml) were added to a solution of 1-benzhydrylazetidine-3-carboxylic acid (4.20 g) in N,N-dimethylformamide (45 ml), followed by stirring at room temperature for 20.5 hours. The reaction mixture was poured into ice water, and extracted with ethyl acetate. The organic layer was washed with brine, and dried over anhydrous sodium sulfate. The solvent was distilled off, and the residue was purified by silica gel column chromatography (eluent; heptane:ethyl acetate=5:1, then 3:1). The fractions containing the target compound were concentrated to give the title compound (3.57 g, 80.8percent) as yellow crystals.1H-NMR Spectrum (CDCl3) δ (ppm): 3.26 (2H, m), 3.31 (1H, m), 3.44 (2H, m), 3.69 (3H, s), 4.38 (1H, s), 7.16-7.20 (2H, m), 7.25-7.28 (4H, m), 7.39-7.41 (4H, m).ESI-MS (m/z): 282[M+H]+.
80.8% With potassium carbonate In N,N-dimethyl-formamide at 20℃; for 20.5 h; (Production Example 84) Methyl 1-benzhydrylazetidine-3-carboxylate
A solution of 1-benzhydrylazetidine-3-carboxylic acid (4.20 g) in N,N-dimethylformamide (45 ml) were added potassium carbonate (6.53 g) and iodomethane (0.976 ml), followed by stirring at room temperature for 20.5 hr.
The reaction mixture was poured into ice water, and extracted with ethyl acetate.
The organic layer was washed with brine, and dried over anhydrous sodium sulfate.
The solvent was removed, and the residue was purified by silica gel column chromatography (eluent; heptane:ethyl acetate = 5:1, then 3:1).
Fractions containing the target compound were concentrated to provide the titled compound as yellow crystals (3.57 g, 80.8 percent).
1H-NMR Spectrum (CDCl3) δ (ppm): 3.26 (2H, m), 3.31 (1H, m), 3.44 (2H, m), 3.69 (3H, s), 4.38 (1H, s), 7.16-7.20 (2H, m), 7.25-7.28 (4H, m), 7.39-7.41 (4H, m). ESI-MS (m/z): 282 [M+H]+.
Reference: [1] Patent: US2008/214815, 2008, A1, . Location in patent: Page/Page column 14
[2] Patent: EP1889836, 2008, A1, . Location in patent: Page/Page column 80
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Reference: [1] Patent: US2010/249399, 2010, A1, . Location in patent: Page/Page column 21
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