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Chemical Structure| 620-17-7 Chemical Structure| 620-17-7

Structure of 3-Ethylphenol
CAS No.: 620-17-7

Chemical Structure| 620-17-7

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Product Details of [ 620-17-7 ]

CAS No. :620-17-7
Formula : C8H10O
M.W : 122.16
SMILES Code : CCC1=CC=CC(O)=C1
MDL No. :MFCD00002311
InChI Key :HMNKTRSOROOSPP-UHFFFAOYSA-N
Pubchem ID :12101

Safety of [ 620-17-7 ]

GHS Pictogram:
Signal Word:Danger
Hazard Statements:H302+H312+H332-H314-H402
Precautionary Statements:P273-P280-P305+P351+P338-P310
Class:8
UN#:3145
Packing Group:

Application In Synthesis of [ 620-17-7 ]

* 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.

  • Upstream synthesis route of [ 620-17-7 ]
  • Downstream synthetic route of [ 620-17-7 ]

[ 620-17-7 ] Synthesis Path-Upstream   1~1

  • 1
  • [ 620-17-7 ]
  • [ 99873-30-0 ]
YieldReaction ConditionsOperation in experiment
7.25 g With N-Bromosuccinimide In chloroform at 0 - 20℃; for 2 h; At 0°C cooling in ice, a mixture of 7.33g of 3-ethylphenol and 600mL of chloroform was added 10.7g of N-bromosuccinimide. After the temperature was raised to room temperature and stirred for 2 hours, The reaction solution was concentrated under reduced pressure. The residue thus obtained was subjected to silica gel column chromatography to obtain 7.25g of 4-bromo-3-ethylphenol (Referred to as 45A).
7.25 g With N-Bromosuccinimide In chloroform at 0 - 20℃; for 2 h; Cooling with ice Reference Production Example 45 (0707) While stirring a mixture of 7.33 g of 3-ethylphenol and 600 mL of chloroform under ice cooling at 0° C., 10.7 g of N-bromosuccinimide was added. After raising the temperature to room temperature and stirring for 2 hours, the reaction solution was concentrated under reduced pressure. The residue thus obtained was subjected to silica gel column chromatography to obtain 7.25 g of 4-bromo-3-ethylphenol (referred to as 45A). (0708) 1H-NMR (CDCl3) δ: 7.37 (1H, d, J=8.2 Hz), 6.90 (1H, d, J=2.1 Hz), 6.69 (1H, dd, J=8.2, 2.1 Hz), 5.48 (1H, s), 2.61 (2H, q, J=7.6 Hz), 1.24 (3H, t, J=7.6 Hz).
References: [1] Patent: WO2011/34828, 2011, A1, . Location in patent: Page/Page column 84.
[2] Patent: EP2177513, 2010, A1, . Location in patent: Page/Page column 28.
[3] Patent: CN105392779, 2016, A, . Location in patent: Paragraph 1351; 1352; 1353; 1354.
[4] Patent: US2016/159755, 2016, A1, . Location in patent: Paragraph 0707; 0708.
 

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