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Chemical Structure| 1255206-70-2 Chemical Structure| 1255206-70-2

Structure of 1255206-70-2

Chemical Structure| 1255206-70-2

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Product Details of [ 1255206-70-2 ]

CAS No. :1255206-70-2
Formula : C11H10O3
M.W : 190.20
SMILES Code : O=C1OCC2=C1C=CC([C@H]3OC3)=C2C
MDL No. :MFCD28385765

Safety of [ 1255206-70-2 ]

GHS Pictogram:
Signal Word:Danger
Hazard Statements:H312-H302-H315-H319-H361-H372-H317-H351-H335-H412
Precautionary Statements:P501-P273-P272-P260-P270-P202-P201-P271-P264-P280-P312-P337+P313-P305+P351+P338-P362+P364-P333+P313-P302+P352+P312-P304+P340+P312-P403+P233-P405
Class:6.1
UN#:2811
Packing Group:

Application In Synthesis of [ 1255206-70-2 ]

* 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 [ 1255206-70-2 ]

[ 1255206-70-2 ] Synthesis Path-Downstream   1~5

  • 2
  • [ 864448-41-9 ]
  • [ 1255206-70-2 ]
  • [ 1433485-13-2 ]
YieldReaction ConditionsOperation in experiment
In ethanol; at 140℃; for 1h;Microwave irradiation; Commercially available tert-Butyl 3-oxa-7,9-diazabicyclo[3.3.1]nonane-7-carboxylate (300 mg, 1.3 mmol) and 4-methyl-5-[(2i?)-oxiran-2-yl]-2-benzofuran-l(3H)-one(INTERMEDIATE 2) (380 mg, 2.0 mmol) were dissolved in ethanol (10 ml) and heated in a microwave reactor at 140 C for 1 hour. The reaction was concentrated and purified by MPLC on ISCO RediSep purification column and eluted with 50%- 100% ethyl acetate/hexane to provide tert-butyl 9- [(2i.)-2-hydroxy-2-(4-methyl- 1 -oxo- 1 ,3 -dihydro-2-benzofuran-5-yl)ethyl] -3 - oxa-7,9-diazabicyclo[3.3.1 ]nonane-7-carboxylate.LC-MS (IE, m/z): 419 [M + 1]+.
  • 4
  • [ 832710-65-3 ]
  • [ 1255206-70-2 ]
  • (R)-8-(2-hydroxy-2-(4-methyl-1-oxo-1,3-dihydroisobenzofuran-5-yl)ethyl)-2,8-diazaspiro[4.5]decan-1-one [ No CAS ]
YieldReaction ConditionsOperation in experiment
Step B: (R)-8-(2-hydroxy-2-(4-methyl- 1 -oxo- 1 ,3-dihydroisobenzofuran-5-yl)ethyl)-2,8- diazaspiro [4.51 decan- 1-one: To a solution of 2, 8-diazaspiro [4.5 ]decan- 1-one hydrochloride (68 g, 0.35 mol) in ethanol (1.5 L) was added Et3N (55 mL). The mixture was stirred for 2 hours. Then (R)-4-methyl-5-(oxiran-2-yl)isobenzofuran-1(3H)-one (Intermediate 3B, 65 g, 0.34 mol)was added. The mixture was heated to reflux for 40 h. After filtration, the solid was collected toprovide the title compound. The filtrate was concentrated and purified by SFC separation toprovide additional title compound. ?H NMR (400 Hz, CDC13) oe 7.82-7.75 (m, 2H), 6.00 (s, 1H),5.24 (s, 2H), 5.08 (dd, J= 2.1 Hz and 10.4 Hz, 1H), 4.21 (s, 1H), 3.35 (t, J= 6.8 Hz, 2H), 3.17-3.14 (m, 1H), 2.85-2.82 (m, 1H), 2.57 (dd, J 2.1 Hz and 10.4 Hz, 1H), 2.49 (t, J= 8.8 Hz, 1H),2.37 (t, J= 10.8 Hz, 1H), 2.27 (s, 3H), 2.23 (J 6.8 Hz, 1H), 2.09-1.98 (m, 4H), 1.52 (t, J 12.8 Hz, 2H).
With triethylamine; In ethanol; for 40h;Reflux; To a solution of 2,8-diazaspiro[4.5]decan-l-one hydrochloride (68 g, 0.35 mol) in ethanol (1.5 L) was added Et3N (55 mL). The mixture was stirred for 2 hours. Next, (R)-4-methyl-5-(oxiran-2-yl)isobenzofuran-l(3H)-one (65 g, 0.34 mol) was added. The mixture was heated to reflux for 40 h. After filtration, the solid was collected to provide the title compound. The filtrate was concentrated and purified by SFC separation to provide additional (R)-8-(2-hydroxy-2-(4-methyl-l-oxo-l,3-dihydroisobenzofuran-5-yl)ethyl)-2,8- diazaspiro[4.5]decan-l-one. 1H-NMR (400 Hz, CDC13): delta 7.82-7.75 (m, 2H), 6.00 (s, 1H), 5.24 (s, 2H), 5.08 (dd, J = 2.1 Hz and 10.4 Hz, 1H), 4.21 (s, 1H), 3.35 (t, J = 6.8 Hz, 2H), 3.17-3.14 (m, 1H), 2.85-2.82 (m, 1H), 2.57 (dd, J = 2.1 Hz and 10.4 Hz, 1H), 2.49 (t, J = 8.8 Hz, 1H), 2.37 (t, J = 10.8 Hz, 1H), 2.27 (s, 3H), 2.23 (J = 6.8 Hz, 1H), 2.09-1.98 (m, 4H), 1.52 (t, J = 12.8 Hz, 2H).
  • 5
  • [ 1255206-70-2 ]
  • [ 138007-24-6 ]
  • (R)-tert-butyl 1-(2-hydroxy-2-(4-methyl-1-oxo-1,3-dihydroisobenzofuran-5-yl)ethyl)piperidine-4-carboxylate [ No CAS ]
YieldReaction ConditionsOperation in experiment
In ethanol; at 140℃; for 1h; A mixture of <strong>[138007-24-6]ter<strong>[138007-24-6]t-butyl piperidine-4-carboxylate</strong></strong> (0.40 g, 2.2 mmol) and (R)-4-methyl-5-(oxiran- 2-yl)isobenzofuran-1(3H)-one (0.82 g, 4.3 mmol) in EtOH (5 mL) was heated to 140 °C for 1 hour. LC showed complete reaction. The reaction was concentrated to dryness and the residuewas purified by silica gel chromatography to afford the title compound. LCMS: 376 (M+1)+.
 

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