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[ CAS No. 5468-97-3 ]

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2D
Chemical Structure| 5468-97-3
Chemical Structure| 5468-97-3
Structure of 5468-97-3 *Storage: {[proInfo.prStorage]}

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Product Details of [ 5468-97-3 ]

CAS No. :5468-97-3MDL No. :MFCD00004466
Formula : C10H13ClO Boiling Point : 263.2°C at 760 mmHg
Linear Structure Formula :-InChI Key :-
M.W :184.66Pubchem ID :79609
Synonyms :

Computed Properties of [ 5468-97-3 ]

TPSA : 20.2 H-Bond Acceptor Count : 1
XLogP3 : - H-Bond Donor Count : 1
SP3 : 0.40 Rotatable Bond Count : 2

Safety of [ 5468-97-3 ]

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

Application In Synthesis of [ 5468-97-3 ]

  • Upstream synthesis route of [ 5468-97-3 ]
  • Downstream synthetic route of [ 5468-97-3 ]

[ 5468-97-3 ] Synthesis Path-Upstream   1~12

  • 1
  • [ 104-83-6 ]
  • [ 5468-97-3 ]
YieldReaction ConditionsOperation in experiment
70% With hydrogenchloride; magnesium In acetone EXAMPLE 1.
Preparation of 2-bromopropanoic acid 1-(4-chlorophenyl)-2-methyl-2-propylester used as starting material
A solution of 4-chlorobenzyl chloride (165 g; 1.02 mole) in ether (500 ml) was added dropwise during one hour to magnesium (24.3 g; 1.00 mole) in a three-necked flask equipped with stirrer and reflux condenser.
The spontaneous reflux was allowed to continue for another hour and the solution was cooled.
Acetone (60.0 g, 1.30 mole) was added dropwise and the solution heated to reflux for three hours.
After cooling, the reaction mixture was poured out on ice (500 ml) and concentrated hydrochloric acid (92 ml).
The phases were separated.
The organic phase was washed with water, dried (Na2 SO4) and evaporated in vacuum.
The residual oil was fractionated affording 1-(4-chlorophenyl)-2-methyl-2-propanol (b.p. 123°-124° C./12 mm Hg; nD25 =1.5300; 128.5 g, 70percent yield).
Reference: [1] Patent: US4237311, 1980, A,
  • 2
  • [ 52449-43-1 ]
  • [ 75-16-1 ]
  • [ 5468-97-3 ]
Reference: [1] Patent: US2012/252802, 2012, A1, . Location in patent: Page/Page column 77
  • 3
  • [ 67-64-1 ]
  • [ 874-72-6 ]
  • [ 5468-97-3 ]
Reference: [1] Synthetic Communications, 1999, vol. 29, # 14, p. 2419 - 2430
[2] Collection of Czechoslovak Chemical Communications, 1959, vol. 24, p. 2460,2465
[3] Journal of the American Chemical Society, 1958, vol. 80, p. 5277,5278
  • 4
  • [ 19277-54-4 ]
  • [ 109-92-2 ]
  • [ 5468-97-3 ]
  • [ 1200-10-8 ]
  • [ 80287-87-2 ]
  • [ 80287-88-3 ]
Reference: [1] Journal of the American Chemical Society, 1982, vol. 104, # 4, p. 1047 - 1050
[2] Journal of the American Chemical Society, 1982, vol. 104, # 4, p. 1047 - 1050
[3] Journal of the American Chemical Society, 1982, vol. 104, # 4, p. 1047 - 1050
  • 5
  • [ 19277-54-4 ]
  • [ 67-63-0 ]
  • [ 5468-97-3 ]
  • [ 1200-10-8 ]
  • [ 80287-87-2 ]
  • [ 80287-88-3 ]
Reference: [1] Journal of the American Chemical Society, 1982, vol. 104, # 4, p. 1047 - 1050
  • 6
  • [ 75-16-1 ]
  • [ 5586-88-9 ]
  • [ 5468-97-3 ]
Reference: [1] Journal of the American Chemical Society, 2010, vol. 132, # 16, p. 5916 - 5921
[2] Angewandte Chemie - International Edition, 2018, vol. 57, # 32, p. 10357 - 10361[3] Angew. Chem., 2018, vol. 130, p. 10514 - 10518,5
  • 7
  • [ 107323-82-0 ]
  • [ 67-64-1 ]
  • [ 5468-97-3 ]
Reference: [1] Collection of Czechoslovak Chemical Communications, 1959, vol. 24, p. 2460,2465
[2] Journal of the American Chemical Society, 1958, vol. 80, p. 5277,5278
  • 8
  • [ 917-54-4 ]
  • [ 5586-88-9 ]
  • [ 5468-97-3 ]
Reference: [1] Chemische Berichte, 1981, vol. 114, # 12, p. 3813 - 3830
  • 9
  • [ 104-83-6 ]
  • [ 67-64-1 ]
  • [ 5468-97-3 ]
Reference: [1] Journal of Medicinal Chemistry, 1978, vol. 21, # 5, p. 448 - 456
[2] Il Farmaco; edizione scientifica, 1960, vol. 15, p. 337 - 342
  • 10
  • [ 19277-54-4 ]
  • [ 67-63-0 ]
  • [ 106-43-4 ]
  • [ 5216-35-3 ]
  • [ 5468-97-3 ]
  • [ 1200-10-8 ]
  • [ 76019-94-8 ]
Reference: [1] Journal of the American Chemical Society, 1982, vol. 104, # 11, p. 3156 - 3162
  • 11
  • [ 25026-34-0 ]
  • [ 5468-97-3 ]
Reference: [1] Chemische Berichte, 1981, vol. 114, # 12, p. 3813 - 3830
  • 12
  • [ 19277-54-4 ]
  • [ 67-63-0 ]
  • [ 5468-97-3 ]
  • [ 1200-10-8 ]
Reference: [1] Tetrahedron, 1985, vol. 41, # 8, p. 1435 - 1440
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