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[ CAS No. 29976-82-7 ]

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2D
Chemical Structure| 29976-82-7
Chemical Structure| 29976-82-7
Structure of 29976-82-7 *Storage: {[proInfo.prStorage]}

Quality Control of [ 29976-82-7 ]

Related Doc. of [ 29976-82-7 ]

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Product Details of [ 29976-82-7 ]

CAS No. :29976-82-7MDL No. :MFCD00209591
Formula : C16H14O3 Boiling Point : 455.7°C at 760 mmHg
Linear Structure Formula :-InChI Key :N/A
M.W :254.28Pubchem ID :736658
Synonyms :

Computed Properties of [ 29976-82-7 ]

TPSA : 54.4 H-Bond Acceptor Count : 3
XLogP3 : 3.7 H-Bond Donor Count : 1
SP3 : 0.13 Rotatable Bond Count : 4

Safety of [ 29976-82-7 ]

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

Application In Synthesis of [ 29976-82-7 ]

  • Upstream synthesis route of [ 29976-82-7 ]
  • Downstream synthetic route of [ 29976-82-7 ]

[ 29976-82-7 ] Synthesis Path-Upstream   1~17

  • 1
  • [ 4010-19-9 ]
  • [ 29976-82-7 ]
YieldReaction ConditionsOperation in experiment
75% With potassium hydroxide In pyridine at 100℃; for 0.50 h; 2-Benzoyloxy-5-methylacetophenone (I) (5g, 19.6mmol) was treated with 15g pulverized hot KOH in 25ml pyridine and heated at 100°C for 30min. The reaction mixture was poured in acidified (6N HCl) ice cold water. A yellow precipitate appeared was then filtered off. The residue was dried in vacuum. The crude product, 1-(2-hydroxy-5-methylphenyl)-3-phenylpropane-1,3-dione (II) was then recrystallized from petroleum ether as yellow shining plates. Yield: 75percent; amount of product isolated: 3.73g; m.p.: 95°C (lit. m.p. 94°C [34]).
Reference: [1] Journal of the Indian Chemical Society, 2006, vol. 83, # 8, p. 835 - 837
[2] European Journal of Medicinal Chemistry, 2014, vol. 73, p. 195 - 209
[3] Chemistry Letters, 2007, vol. 36, # 4, p. 522 - 523
[4] Journal of Organic Chemistry, 1991, vol. 56, # 26, p. 7292 - 7297
[5] Journal of the Indian Chemical Society, 1986, vol. 63, p. 851 - 853
[6] Journal of the Indian Chemical Society, 1988, vol. 65, # 7, p. 522 - 524
[7] Journal of Medicinal Chemistry, 2002, vol. 45, # 19, p. 4188 - 4201
[8] Journal of Medicinal Chemistry, 2011, vol. 54, # 24, p. 8693 - 8701
[9] Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2012, vol. 51, # 5, p. 770 - 773
[10] New Journal of Chemistry, 2017, vol. 41, # 18, p. 10020 - 10026
[11] Molecules, 2018, vol. 23, # 9,
  • 2
  • [ 1450-72-2 ]
  • [ 93-89-0 ]
  • [ 29976-82-7 ]
Reference: [1] Organic Letters, 2017, vol. 19, # 13, p. 3552 - 3555
[2] Journal of the Chemical Society - Perkin Transactions 1, 1999, # 20, p. 3005 - 3013
  • 3
  • [ 1450-72-2 ]
  • [ 65-85-0 ]
  • [ 29976-82-7 ]
Reference: [1] Tetrahedron Letters, 2016, vol. 57, # 34, p. 3841 - 3843
  • 4
  • [ 1450-72-2 ]
  • [ 29976-82-7 ]
Reference: [1] Chemistry Letters, 2007, vol. 36, # 4, p. 522 - 523
[2] Journal of the Indian Chemical Society, 2006, vol. 83, # 8, p. 835 - 837
[3] Journal of Organic Chemistry, 1991, vol. 56, # 26, p. 7292 - 7297
[4] Journal of Medicinal Chemistry, 2011, vol. 54, # 24, p. 8693 - 8701
[5] European Journal of Medicinal Chemistry, 2014, vol. 73, p. 195 - 209
[6] New Journal of Chemistry, 2017, vol. 41, # 18, p. 10020 - 10026
[7] Molecules, 2018, vol. 23, # 9,
  • 5
  • [ 1450-72-2 ]
  • [ 93-97-0 ]
  • [ 29976-82-7 ]
Reference: [1] Journal of Chemical Research, 2006, # 2, p. 133 - 134
  • 6
  • [ 98-88-4 ]
  • [ 29976-82-7 ]
Reference: [1] Journal of Medicinal Chemistry, 2011, vol. 54, # 24, p. 8693 - 8701
[2] European Journal of Medicinal Chemistry, 2014, vol. 73, p. 195 - 209
[3] New Journal of Chemistry, 2017, vol. 41, # 18, p. 10020 - 10026
[4] Molecules, 2018, vol. 23, # 9,
  • 7
  • [ 123-07-9 ]
  • [ 29976-82-7 ]
Reference: [1] Journal of Medicinal Chemistry, 2002, vol. 45, # 19, p. 4188 - 4201
  • 8
  • [ 24539-92-2 ]
  • [ 29976-82-7 ]
Reference: [1] Journal of Medicinal Chemistry, 2002, vol. 45, # 19, p. 4188 - 4201
  • 9
  • [ 3245-23-6 ]
  • [ 29976-82-7 ]
Reference: [1] Journal of Medicinal Chemistry, 2002, vol. 45, # 19, p. 4188 - 4201
  • 10
  • [ 27773-03-1 ]
  • [ 29976-82-7 ]
Reference: [1] Heterocycles, 1986, vol. 24, # 9, p. 2511 - 2517
  • 11
  • [ 94-02-0 ]
  • [ 29976-82-7 ]
Reference: [1] Heterocycles, 1986, vol. 24, # 9, p. 2511 - 2517
  • 12
  • [ 85892-91-7 ]
  • [ 29976-82-7 ]
Reference: [1] Heterocycles, 1986, vol. 24, # 9, p. 2511 - 2517
  • 13
  • [ 110623-99-9 ]
  • [ 29976-82-7 ]
Reference: [1] Heterocycles, 1986, vol. 24, # 9, p. 2511 - 2517
  • 14
  • [ 106-44-5 ]
  • [ 29976-82-7 ]
Reference: [1] Medicinal Chemistry Research, 2012, vol. 21, # 8, p. 1833 - 1849,17
  • 15
  • [ 140-39-6 ]
  • [ 29976-82-7 ]
Reference: [1] Medicinal Chemistry Research, 2012, vol. 21, # 8, p. 1833 - 1849,17
  • 16
  • [ 1450-72-2 ]
  • [ 98-88-4 ]
  • [ 29976-82-7 ]
Reference: [1] Medicinal Chemistry Research, 2012, vol. 21, # 8, p. 1833 - 1849,17
  • 17
  • [ 67801-43-8 ]
  • [ 29976-82-7 ]
Reference: [1] Heterocycles, 1986, vol. 24, # 9, p. 2511 - 2517
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