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Chemical Structure| 17610-00-3
Chemical Structure| 17610-00-3
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Product Details of [ 17610-00-3 ]

CAS No. :17610-00-3 MDL No. :MFCD00026298
Formula : C15H22O Boiling Point : -
Linear Structure Formula :- InChI Key :BRUITYMDHWNCIG-UHFFFAOYSA-N
M.W :218.33 Pubchem ID :1268253
Synonyms :

Safety of [ 17610-00-3 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P280-P305+P351+P338 UN#:N/A
Hazard Statements:H302 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 17610-00-3 ]

* 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 [ 17610-00-3 ]
  • Downstream synthetic route of [ 17610-00-3 ]

[ 17610-00-3 ] Synthesis Path-Upstream   1~17

  • 1
  • [ 77387-57-6 ]
  • [ 17610-00-3 ]
Reference: [1] Organic Letters, 2001, vol. 3, # 16, p. 2485 - 2487
[2] Chemical Communications, 2014, vol. 50, # 77, p. 11378 - 11381
[3] ACS Catalysis, 2018, vol. 8, # 4, p. 3030 - 3034
[4] Journal of Medicinal Chemistry, 1996, vol. 39, # 25, p. 4942 - 4951
[5] Patent: US6083977, 2000, A,
[6] Patent: US5721103, 1998, A,
  • 2
  • [ 22385-77-9 ]
  • [ 68-12-2 ]
  • [ 17610-00-3 ]
YieldReaction ConditionsOperation in experiment
73%
Stage #1: With n-butyllithium In tetrahydrofuran; hexane at -78℃; for 0.5 h; Inert atmosphere
Stage #2: at 0℃; for 2.5 h;
Preparation 13 ,5-Di-/er/-butylbenzaldehydeDissolve l-bromo-3,5-di-/er/-butylbenzene (5.00 g, 18.57 mmol) in THF (50 mL) under a nitrogen atmosphere. Cool to -78 °C. Slowly add w-butyllithium (2.5 M in hexanes) (22.29 mL, 55.72 mmol) at -78 °C. Stir at -78 °C for about 30 min. Add DMF (4.31 mL, 55.72 mmol) dropwise. Warm the mixture to 0 °C and stir for 2.5 h. Pour aqueous NH4CI (30 mL) into the mixture. Extract with EtOAc (3 x 20 mL). Dry the combined organic portions over a2S04; filter; collect the filtrate; and concentrate under reduced pressure. Purify the residue using flash chromatography eluting with a gradient of 0-10percent EtO Ac/petroleum ether to afford the title compound (2.96 g, 73percent) as a white solid. LC-ES/MS m/z 219 [M+H]+.
Reference: [1] Journal of the American Chemical Society, 2011, vol. 133, # 13, p. 4710 - 4713
[2] Patent: WO2013/66640, 2013, A1, . Location in patent: Page/Page column 15
  • 3
  • [ 15181-11-0 ]
  • [ 17610-00-3 ]
Reference: [1] Journal of the American Chemical Society, 2010, vol. 132, # 33, p. 11416 - 11417
[2] Chemical Communications, 2015, vol. 51, # 77, p. 14473 - 14476
[3] Angewandte Chemie - International Edition, 2017, vol. 56, # 21, p. 5912 - 5915[4] Angew. Chem., 2017, vol. 129, p. 6006 - 6009,4
[5] Dalton Transactions, 2015, vol. 44, # 18, p. 8552 - 8563
[6] Tetrahedron Asymmetry, 2004, vol. 15, # 10, p. 1569 - 1581
[7] Journal of the American Chemical Society, 2010, vol. 132, # 11, p. 3847 - 3861
[8] Journal of Materials Chemistry, 2011, vol. 21, # 5, p. 1544 - 1550
[9] Tetrahedron, 2006, vol. 62, # 9, p. 1928 - 1936
[10] Chemical and Pharmaceutical Bulletin, 1997, vol. 45, # 11, p. 1805 - 1813
[11] Chemische Berichte, 1982, vol. 115, # 11, p. 3631 - 3652
[12] Journal of Organic Chemistry, 1972, vol. 37, p. 4468 - 4469
[13] Synthetic Communications, 2000, vol. 30, # 3, p. 575 - 580
[14] Tetrahedron, 2002, vol. 58, # 12, p. 2405 - 2413
[15] Zeitschrift fuer Naturforschung, B: Chemical Sciences, 1994, vol. 49, # 1, p. 141 - 144
[16] Chemical and Pharmaceutical Bulletin, 1986, vol. 34, # 1, p. 121 - 129
[17] Recueil des Travaux Chimiques des Pays-Bas, 1959, vol. 78, p. 570,582
[18] Chemical Communications, 2012, vol. 48, # 35, p. 4178 - 4180
[19] Organic and Biomolecular Chemistry, 2013, vol. 11, # 36, p. 6023 - 6028
[20] European Journal of Organic Chemistry, 2014, vol. 2014, # 26, p. 5705 - 5719
[21] European Journal of Organic Chemistry, 2015, vol. 2015, # 1, p. 91 - 108
[22] Chemistry - A European Journal, 2015, vol. 21, # 4, p. 1488 - 1498
  • 4
  • [ 16225-26-6 ]
  • [ 17610-00-3 ]
Reference: [1] Chemical and Pharmaceutical Bulletin, 1986, vol. 34, # 1, p. 121 - 129
[2] Organic Letters, 2001, vol. 3, # 16, p. 2485 - 2487
[3] Journal of Medicinal Chemistry, 1996, vol. 39, # 25, p. 4942 - 4951
[4] Recueil: Journal of the Royal Netherlands Chemical Society, 1981, vol. 100, # 1, p. 21 - 24
[5] Journal of the American Chemical Society, 1960, vol. 82, p. 6188 - 6193
[6] Chemical Communications, 2014, vol. 50, # 77, p. 11378 - 11381
  • 5
  • [ 201230-82-2 ]
  • [ 155064-25-8 ]
  • [ 17610-00-3 ]
Reference: [1] Synlett, 2007, # 16, p. 2537 - 2540
  • 6
  • [ 1014-60-4 ]
  • [ 17610-00-3 ]
  • [ 99758-62-0 ]
Reference: [1] Patent: US2011/98311, 2011, A1,
  • 7
  • [ 14377-33-4 ]
  • [ 17610-00-3 ]
Reference: [1] Journal of the American Chemical Society, 1960, vol. 82, p. 6188 - 6193
[2] Recueil: Journal of the Royal Netherlands Chemical Society, 1981, vol. 100, # 1, p. 21 - 24
[3] Journal of Medicinal Chemistry, 1996, vol. 39, # 25, p. 4942 - 4951
  • 8
  • [ 4885-02-3 ]
  • [ 1014-60-4 ]
  • [ 17610-00-3 ]
  • [ 99758-62-0 ]
Reference: [1] Patent: US2015/231142, 2015, A1, . Location in patent: Paragraph 0704
  • 9
  • [ 16225-26-6 ]
  • [ 17610-00-3 ]
Reference: [1] Patent: US5773421, 1998, A,
  • 10
  • [ 62938-08-3 ]
  • [ 17610-00-3 ]
Reference: [1] Tetrahedron, 2002, vol. 58, # 12, p. 2405 - 2413
[2] Synthetic Communications, 1976, vol. 6, p. 575 - 581
[3] Organic and Biomolecular Chemistry, 2013, vol. 11, # 36, p. 6023 - 6028
[4] Chemistry - A European Journal, 2015, vol. 21, # 4, p. 1488 - 1498
  • 11
  • [ 62938-08-3 ]
  • [ 100-97-0 ]
  • [ 17610-00-3 ]
Reference: [1] European Journal of Organic Chemistry, 2014, vol. 2014, # 26, p. 5705 - 5719
  • 12
  • [ 153474-38-5 ]
  • [ 17610-00-3 ]
Reference: [1] Zeitschrift fuer Naturforschung, B: Chemical Sciences, 1994, vol. 49, # 1, p. 141 - 144
[2] Chemical Communications, 2012, vol. 48, # 35, p. 4178 - 4180
  • 13
  • [ 96-76-4 ]
  • [ 17610-00-3 ]
  • [ 99758-62-0 ]
Reference: [1] Patent: US2015/231142, 2015, A1,
  • 14
  • [ 873056-39-4 ]
  • [ 17610-00-3 ]
  • [ 99758-62-0 ]
Reference: [1] Patent: US2015/231142, 2015, A1,
  • 15
  • [ 51625-14-0 ]
  • [ 17610-00-3 ]
Reference: [1] Recueil des Travaux Chimiques des Pays-Bas, 1959, vol. 78, p. 570,582
  • 16
  • [ 62938-09-4 ]
  • [ 17610-00-3 ]
Reference: [1] Synthetic Communications, 1976, vol. 6, p. 575 - 581
  • 17
  • [ 17610-00-3 ]
  • [ 1433497-19-8 ]
Reference: [1] Bioorganic and Medicinal Chemistry Letters, 2016, vol. 26, # 14, p. 3274 - 3277
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