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[ CAS No. 170850-45-0 ]

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2D
Chemical Structure| 170850-45-0
Chemical Structure| 170850-45-0
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Product Details of [ 170850-45-0 ]

CAS No. :170850-45-0MDL No. :MFCD05864839
Formula : C12H12N2 Boiling Point : 351°C at 760 mmHg
Linear Structure Formula :-InChI Key :-
M.W :184.24Pubchem ID :23005226
Synonyms :

Computed Properties of [ 170850-45-0 ]

TPSA : 38.9 H-Bond Acceptor Count : 2
XLogP3 : 2.2 H-Bond Donor Count : 1
SP3 : 0.08 Rotatable Bond Count : 1

Safety of [ 170850-45-0 ]

Signal Word:WarningClass:N/A
Precautionary Statements:P280-P305+P351+P338-P310UN#:N/A
Hazard Statements:H302-H315-H319-H332-H335Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 170850-45-0 ]

  • Upstream synthesis route of [ 170850-45-0 ]
  • Downstream synthetic route of [ 170850-45-0 ]

[ 170850-45-0 ] Synthesis Path-Upstream   1~7

  • 1
  • [ 131941-26-9 ]
  • [ 170850-45-0 ]
YieldReaction ConditionsOperation in experiment
99% With nickel In ethanol; ethyl acetate at 65℃; General procedure: 4.3.1 4'-Methyl-4-aminobiphenyl (4a) Compound 3a (2.54 mmol, 541 mg) was dissolved in an EtOH/EtOAc 1:1 mixture (50 mL) and reduced by hydrogenation catalysed by Raney Nickel in an H-Cube at 65 °C at a flow rate of 0.8 mL/min, using full hydrogen mode. The solution obtained was concentrated under reduced pressure to give 480 mg of a yellow solid, which was purified by chromatography on silica gel, hexane/CH2Cl2 1:1, to give 440 mg of the pure expected product as an off-white solid (95percent yield).
Reference: [1] Tetrahedron, 2012, vol. 68, # 45, p. 9272 - 9277
  • 2
  • [ 13534-97-9 ]
  • [ 5720-05-8 ]
  • [ 170850-45-0 ]
Reference: [1] Journal of the American Chemical Society, 2013, vol. 135, # 23, p. 8436 - 8439
[2] Bioorganic and Medicinal Chemistry Letters, 2015, vol. 25, # 15, p. 3057 - 3061
  • 3
  • [ 106-38-7 ]
  • [ 170850-45-0 ]
Reference: [1] Journal of the American Chemical Society, 2018,
  • 4
  • [ 5350-93-6 ]
  • [ 5720-05-8 ]
  • [ 170850-45-0 ]
Reference: [1] New Journal of Chemistry, 2017, vol. 41, # 24, p. 15420 - 15432
  • 5
  • [ 4487-59-6 ]
  • [ 170850-45-0 ]
Reference: [1] Tetrahedron, 2012, vol. 68, # 45, p. 9272 - 9277
  • 6
  • [ 5720-05-8 ]
  • [ 170850-45-0 ]
Reference: [1] Tetrahedron, 2012, vol. 68, # 45, p. 9272 - 9277
  • 7
  • [ 2127-09-5 ]
  • [ 170850-45-0 ]
Reference: [1] Journal of the American Chemical Society, 2018,
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