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[ CAS No. 171361-65-2 ] {[proInfo.proName]}

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Chemical Structure| 171361-65-2
Chemical Structure| 171361-65-2
Structure of 171361-65-2 * Storage: {[proInfo.prStorage]}
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Product Details of [ 171361-65-2 ]

CAS No. :171361-65-2 MDL No. :MFCD12498695
Formula : C10H16O3 Boiling Point : -
Linear Structure Formula :- InChI Key :GQJWTOYPOHWVKC-UHFFFAOYSA-N
M.W : 184.23 Pubchem ID :45588272
Synonyms :

Safety of [ 171361-65-2 ]

Signal Word:Danger Class:6.1
Precautionary Statements:P261-P264-P270-P271-P280-P302+P352-P304+P340-P310-P330-P361-P403+P233-P405-P501 UN#:2810
Hazard Statements:H301-H311-H331 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 171361-65-2 ]

* 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.

  • Upstream synthesis route of [ 171361-65-2 ]
  • Downstream synthetic route of [ 171361-65-2 ]

[ 171361-65-2 ] Synthesis Path-Upstream   1~4

  • 1
  • [ 17159-79-4 ]
  • [ 1774-47-6 ]
  • [ 171361-65-2 ]
YieldReaction ConditionsOperation in experiment
65% With potassium <i>tert</i>-butylate In dimethyl sulfoxide at 20℃; Intermediate 9; Ethyl 1 -oxaspiror2.51octane-6-carboxylate; Procedure 9a; To a mixture of trimethylsulfoxonium iodide and potassium tert-butoxide (as reported in Synthetic Communications, 33(12), 2135-2143; 3.9 g, 11.76 mmol) was added a solution of ethyl 4-oxocyclohexanecarboxylate (1 g, 5.87 mmol, Aldrich) in DMSO (20ml). The mixture was left to stir overnight at room temperature. The mixture was poured into water and extracted with diethyl ether; the organic phase was dried on Na2SO4, filtered and evaporated in vacuo to afford the title compound (704.5 mg, 65percent), which was used without purification.Another batch of the same compound prepared using an analogous method showed the following NMR spectra:1H NMR (400 MHz, CDCI3): δ 4.06 (2H, q), 2.49-2.59 (2H, m), 2.26-2.28 (1 H, m), 1.63- 2.04 (6H, m), 1.27-1.49 (2H, m), 1.20 (3H, t) cis/trans 65:35
Reference: [1] Patent: WO2008/92887, 2008, A1, . Location in patent: Page/Page column 28
[2] Patent: WO2008/129007, 2008, A1, . Location in patent: Page/Page column 32
  • 2
  • [ 17159-79-4 ]
  • [ 18107-18-1 ]
  • [ 122898-08-2 ]
  • [ 171361-65-2 ]
  • [ 171361-62-9 ]
Reference: [1] Tetrahedron, 1995, vol. 51, # 37, p. 10259 - 10280
[2] Tetrahedron, 1995, vol. 51, # 37, p. 10259 - 10280
[3] Tetrahedron, 1995, vol. 51, # 37, p. 10259 - 10280
  • 3
  • [ 17159-79-4 ]
  • [ 2181-42-2 ]
  • [ 171361-65-2 ]
Reference: [1] Patent: WO2008/92887, 2008, A1, . Location in patent: Page/Page column 28-29
  • 4
  • [ 186581-53-3 ]
  • [ 17159-79-4 ]
  • [ 122898-08-2 ]
  • [ 171361-65-2 ]
  • [ 171361-62-9 ]
Reference: [1] Tetrahedron, 1995, vol. 51, # 37, p. 10259 - 10280
[2] Tetrahedron, 1995, vol. 51, # 37, p. 10259 - 10280
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