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Chemical Structure| 86013-78-7 Chemical Structure| 86013-78-7

Structure of tert-Butyl 7-hydroxyheptanoate
CAS No.: 86013-78-7

Chemical Structure| 86013-78-7

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Product Details of [ 86013-78-7 ]

CAS No. :86013-78-7
Formula : C11H22O3
M.W : 202.29
SMILES Code : O=C(OC(C)(C)C)CCCCCCO
English Name :tert-Butyl 7-hydroxyheptanoate
MDL No. :MFCD32706536
InChI Key :PKTFZBMGJHDRNG-UHFFFAOYSA-N
Pubchem ID :54194354

Safety of [ 86013-78-7 ]

Application In Synthesis of [ 86013-78-7 ]

* 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 [ 86013-78-7 ]

[ 86013-78-7 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 1469894-57-2 ]
  • [ 86013-78-7 ]
YieldReaction ConditionsOperation in experiment
94% With dimethylsulfide borane complex In tetrahydrofuran at 0 - 20℃; for 24h; 22 reparation 22: fert-butyl 7-hydroxyheptanoate BH3.Me2S (2M in THF, 1.33 ml_, 2.66 mmol) was added dropwise to a solution of 7-{tert- butoxy)-7-oxoheptanoic acid (Preparation 21) (0.52 g, 2.42 mmol) in dry THF (4 ml.) cooled to 0° C. The solution was allowed to warm to r.t. and stirred for 24 hours. EtOAc (20 was added and the organic layer was separated. The organic layer was then washed with water (20 mL) and brine (20 ml_), dried over MgS04, filtered and the solvent removed in vacuo. The crude product was purified by column chromatography using 2:3 EtOAc:PE to give te/f-butyl 7-hydroxyheptanoate (0.46 g, 2.27 mmol, 94%) as a colourless oil. H N R (400 MHz, DMSO-cfe) δ ppm 4.31 (t, J = 5.3 Hz, 1 H), 3.37 (dd, J = 12.3, 6.3 Hz, 2H), 2.17 (t, J = 7.4 Hz, 2H), 1.54-1.44, (m, 2H), 1.44-1.33 (m, 11 H), 1.33-1.20 (m, 4H)
  • 2
  • [ 86013-78-7 ]
  • [ 2169266-69-5 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 4 steps 1: triphenylphosphine; di-isopropyl azodicarboxylate / tetrahydrofuran / 18 h / 0 - 20 °C 2: sodium hydroxide; water / tetrahydrofuran; methanol / 2 h / 20 °C 3: pyridine / 17 h / 110 °C 4: trifluoroacetic acid / 3 h / 20 °C
 

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