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[ CAS No. 156390-35-1 ]

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2D
Chemical Structure| 156390-35-1
Chemical Structure| 156390-35-1
Structure of 156390-35-1 *Storage: {[proInfo.prStorage]}

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Product Details of [ 156390-35-1 ]

CAS No. :156390-35-1MDL No. :MFCD11046741
Formula : C12H12O3 Boiling Point : -
Linear Structure Formula :-InChI Key :-
M.W :204.22Pubchem ID :10058724
Synonyms :

Computed Properties of [ 156390-35-1 ]

TPSA : 43.4 H-Bond Acceptor Count : 3
XLogP3 : 1.6 H-Bond Donor Count : 0
SP3 : 0.33 Rotatable Bond Count : 2

Safety of [ 156390-35-1 ]

Signal Word:WarningClassN/A
Precautionary Statements:P280-P305+P351+P338UN#:N/A
Hazard Statements:H302Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 156390-35-1 ]

  • Upstream synthesis route of [ 156390-35-1 ]
  • Downstream synthetic route of [ 156390-35-1 ]

[ 156390-35-1 ] Synthesis Path-Upstream   1~6

  • 1
  • [ 17502-86-2 ]
  • [ 156390-35-1 ]
Reference: [1] Tetrahedron Letters, 2005, vol. 46, # 46, p. 8013 - 8015
  • 2
  • [ 3123-46-4 ]
  • [ 156390-35-1 ]
YieldReaction ConditionsOperation in experiment
80% at 0 - 20℃; for 20.50 h; A) 4-Oxo-1,2,3,4-tetrahydro-naphthalene-1-carboxylic acid methyl ester [0117] 2-Phenylglutaric anhydride (52.2 g, 0.274 mol) and concentrated sulfuric acid (274 mL) were heated in an oil bath at 70° C. for a period of 1.5 h. The resulting mixture was allowed to cool to RT and was added to cooled solution (ice/water bath) of MeOH (550 mL) over a period of 30 min. Upon complete addition, the mixture was allowed to warm to RT and stirred for 20 h. The mixture was poured over one liter of ice. Brine (500 mL) and water (500 mL) were added and the resulting mixture was extracted with EtOAc (4.x.500 mL). The combined organics were washed successively with sat. NaHCO3 (500 mL), water (500 mL) and brine (500 mL). The organics were dried (Na2SO4), filtered and concentrated to provide the 44.8 g (80percent) of the title compound as a brown oil which was used without further purification: 1H NMR (CDCl3, 400 MHz) δ 8.02 (dd, 1H, J=7.9, 1.3 Hz), 7.48 (td, 1H, J=7.5, 1.3 Hz), 7.35 (td, 1H, J=7.5, 1.3 Hz), 7.29 (1H, d, J=7.9 Hz), 3.96, (t, 1H, J=5.0 Hz), 3.69 (s, 3H), 2.87 (ddd, 1H, J=17.4, 11.6, 5.0 Hz), 2.60 (dt, 1H, J=17.4, 5.0 Hz), 2.51-2.43 (m, 1H), 2.36-2.27 (m, 1H); GCMS m/z 204 (M+).
Reference: [1] Patent: US2005/20616, 2005, A1. Location in patent: Page/Page column 17
  • 3
  • [ 67-56-1 ]
  • [ 2959-96-8 ]
  • [ 156390-35-1 ]
Reference: [1] Journal of Organic Chemistry, 2004, vol. 69, # 17, p. 5756 - 5759
  • 4
  • [ 666177-25-9 ]
  • [ 156390-35-1 ]
Reference: [1] Journal of Chemical Research - Part S, 2003, # 9, p. 594 - 596
  • 5
  • [ 532-27-4 ]
  • [ 292638-85-8 ]
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Reference: [1] Journal of Organic Chemistry, 1994, vol. 59, # 13, p. 3744 - 3746
  • 6
  • [ 2959-96-8 ]
  • [ 156390-35-1 ]
Reference: [1] Patent: US2005/20616, 2005, A1
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