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Chemical Structure| 912444-87-2 Chemical Structure| 912444-87-2

Structure of 912444-87-2

Chemical Structure| 912444-87-2

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Product Details of [ 912444-87-2 ]

CAS No. :912444-87-2
Formula : C14H25NO5
M.W : 287.35
SMILES Code : O=C(N1CCC(C(OCC)=O)C(O)CC1)OC(C)(C)C
MDL No. :MFCD11111487

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* 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 [ 912444-87-2 ]

[ 912444-87-2 ] Synthesis Path-Upstream   1~1

  • 1
  • [ 912444-87-2 ]
  • [ 912444-89-4 ]
YieldReaction ConditionsOperation in experiment
66% With methanesulfonyl chloride; 1,8-diazabicyclo[5.4.0]undec-7-ene In toluene at 110℃; for 2 h; Example 18C
1-tert-butyl 4-ethyl 2,3,6,7-tetrahydro-1H-azepine-1,4-dicarboxylate
To a solution of EXAMPLE 18B (21 g, 73 mmol), DBU (22 g, 146 mmol) in toluene (200 mL) was added dropwise MsCl (14.56 g, 128 mmol).
After the dropwise addition was completed, the mixture was stirred at 110° C. for 2 h, and cooled to room temperature, and then water (200 mL) was added to quench.
The aqueous layer was extracted with EtOAc (200 mL*2).
The combined organic layers were washed with water, brine, dried over Na2SO4, filtered and evaporated.
The residue was purified by column chromatograph on silica gel to provide the title compound (13 g, yield: 66percent). LCMS (ESI) m/z: 270 (M+1).
References: [1] Patent: US2017/29430, 2017, A1, . Location in patent: Paragraph 0322.
[2] Angewandte Chemie - International Edition, 2013, vol. 52, # 23, p. 6072 - 6075[3] Angew. Chem., 2013, vol. 125, # 23, p. 6188 - 6191.
[4] Patent: US2018/258065, 2018, A1, .
[5] Tetrahedron Letters, 2018, vol. 59, # 52, p. 4611 - 4615.
 

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