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[ CAS No. 82657-71-4 ]

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2D
Chemical Structure| 82657-71-4
Chemical Structure| 82657-71-4
Structure of 82657-71-4 *Storage: {[proInfo.prStorage]}

Quality Control of [ 82657-71-4 ]

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Related Doc. of [ 82657-71-4 ]

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Product Details of [ 82657-71-4 ]

CAS No. :82657-71-4MDL No. :MFCD06202646
Formula :C10H14O2Boiling Point :272.1°C at 760 mmHg
Linear Structure Formula :-InChI Key :N/A
M.W :166.22Pubchem ID :250081
Synonyms :

Computed Properties of [ 82657-71-4 ]

TPSA : 29.5 H-Bond Acceptor Count : 2
XLogP3 : - H-Bond Donor Count : 1
SP3 : 0.40 Rotatable Bond Count : 3

Safety of [ 82657-71-4 ]

Signal Word:WarningClassN/A
Precautionary Statements:P261-P305+P351+P338UN#:N/A
Hazard Statements:H302-H315-H319-H335Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 82657-71-4 ]

  • Upstream synthesis route of [ 82657-71-4 ]

[ 82657-71-4 ] Synthesis Path-Upstream   1~6

  • 1
  • [ 18962-05-5 ]
  • [ 82657-71-4 ]
YieldReaction ConditionsOperation in experiment
97% With hydrogen In methanol at 20℃; for 4.10 h; General procedure: A mixture of 1a (196 mg, 1 mmol) and 1percentPd/Ni bimetallic catalyst9 (60 mg, 30 wt percent) in MeOH (10 mL) was stirred underH2 at room temperature and atmospheric pressure (on an atmosphericpressure hydrogenation apparatus) until the absorption of hydrogen ceased(3.5 h). After the catalyst was removed off by a magnetic stirring bar, thesolution was evaporated in a vaporator to give the product 2a
81%
Stage #1: With sodium tetrahydroborate In methanol at 0 - 35℃; for 4.00 h;
Stage #2: With hydrogenchloride; water In methanol
Reference Example 110
(4-Isopropoxyphenyl)methanol
With ice cooling, to a solution of 4-isopropoxybenzaldehyde (0.93 g, 5.6 mmol) in methanol (20 mL) was added a solution of sodium tetrahydroborate (0.32 g, 11 mmol) in methanol (10 mL), and the mixture was stirred at room temperature for 4 hours.
The mixture was acidified by adding 2 N hydrochloric acid to the reaction solution, and extracted with diethyl ether.
The extract was washed with water, and then concentrated under reduced pressure.
The residue was purified with silica gel column chromatography (hexane/ethyl acetate = 7: 3) to give the title compound (0.76 g, yield 81percent) as an oily matter.
1H NMR: 1.33 (6H, d, J=6.1), 4.55 (1H, quintet, J=6.1), 4.61 (2H, s), 6.85-6.91 (2H, m), 7.25-7.30 (2H, m).
Reference: [1] Tetrahedron Letters, 2015, vol. 56, # 46, p. 6460 - 6462
[2] ChemMedChem, 2016, vol. 11, # 13, p. 1415 - 1427
[3] Patent: EP1688138, 2006, A1. Location in patent: Page/Page column 106
[4] Tetrahedron, 2013, vol. 69, # 2, p. 933 - 941
  • 2
  • [ 623-05-2 ]
  • [ 75-26-3 ]
  • [ 82657-71-4 ]
Reference: [1] Patent: WO2003/91204, 2003, A1. Location in patent: Page/Page column 59
  • 3
  • [ 122488-52-2 ]
  • [ 82657-71-4 ]
Reference: [1] Journal of Medicinal Chemistry, 1989, vol. 32, # 8, p. 1757 - 1763
[2] Journal of the Chemical Society, 1956, p. 2455,246
[3] Journal of the Chemical Society, 1954, p. 2351
  • 4
  • [ 13205-46-4 ]
  • [ 82657-71-4 ]
Reference: [1] Patent: EP1223170, 2002, A1
  • 5
  • [ 123-08-0 ]
  • [ 82657-71-4 ]
Reference: [1] Tetrahedron, 2013, vol. 69, # 2, p. 933 - 941
  • 6
  • [ 122-03-2 ]
  • [ 82657-71-4 ]
Reference: [1] Journal of the Chemical Society, 1956, p. 2455,246
[2] Journal of the Chemical Society, 1954, p. 2351
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