[ CAS No. 46112-46-3 ]

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Cat. No.: {[proInfo.prAm]}
2D
Chemical Structure| 46112-46-3
Chemical Structure| 46112-46-3
Structure of 46112-46-3

Quality Control of [ 46112-46-3 ]

Purity: {[proInfo.showProBatch.pb_purity]}

Related Doc. of [ 46112-46-3 ]

SDS

Product Details of [ 46112-46-3 ]

CAS No. :46112-46-3MDL No. :MFCD02114379
Formula :C9H10O3Boiling Point :-
Linear Structure Formula :-InChI Key :-
M.W :166.17Pubchem ID :506062
Synonyms :

Computed Properties of [ 46112-46-3 ]

TPSA : 57.5 H-Bond Acceptor Count : 3
XLogP3 : - H-Bond Donor Count : 2
SP3 : 0.22 Rotatable Bond Count : 3

Safety of [ 46112-46-3 ]

Signal Word:WarningClassN/A
Precautionary Statements:P261-P280-P305+P351+P338UN#:N/A
Hazard Statements:H302-H315-H319-H332-H335Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 46112-46-3 ]

  • Upstream synthesis route of [ 46112-46-3 ]

[ 46112-46-3 ] Synthesis Path-Upstream   1~6

  • 1
  • [ 46190-45-8 ]
  • [ 46112-46-3 ]
YieldReaction ConditionsOperation in experiment
100%
Stage #1: With sodium hydroxide In methanol; water at 20℃; for 48.00 h;
Stage #2: With hydrogenchloride In water
A solution of 13 (174 mg, 0.96 mmol) in methanol (3 mL) and water (1 mL) was added NaOH (58 mg, 1.43 mmol) at ambient temperature. The mixture was stirred for 2 days at ambient temperature,water (5 mL) was then added, and extracted with ether (3*20 mL). The aqueous layer was acidified with HCl (1:1) to pH = 1, the white solid was filtered out to afford 158 mg (100percent)of 14 which was used directly in the next step. 1H NMR(300 MHz, CDCl3) d 7.97 (d, J = 8.4 Hz, 2H), 7.27 (d, J = 8.4 Hz, 2H),3.83 (t, J = 6.3 Hz, 2H), 2.88 (t, J = 6.3 Hz, 2H).
Reference: [1] Bioorganic and Medicinal Chemistry, 2013, vol. 21, # 11, p. 2988 - 2998
[2] Journal of the American Chemical Society, 2006, vol. 128, # 50, p. 16020 - 16021
  • 2
  • [ 1076-96-6 ]
  • [ 46112-46-3 ]
Reference: [1] Journal of the American Chemical Society, 2006, vol. 128, # 50, p. 16020 - 16021
[2] Bioorganic and Medicinal Chemistry, 2013, vol. 21, # 11, p. 2988 - 2998
  • 3
  • [ 4654-39-1 ]
  • [ 46112-46-3 ]
Reference: [1] Journal of the American Chemical Society, 1948, vol. 70, p. 4177
  • 4
  • [ 18620-02-5 ]
  • [ 46112-46-3 ]
Reference: [1] Journal of the American Chemical Society, 1948, vol. 70, p. 4177
  • 5
  • [ 1075-49-6 ]
  • [ 46112-46-3 ]
Reference: [1] Bioorganic and Medicinal Chemistry, 2013, vol. 21, # 11, p. 2988 - 2998
  • 6
  • [ 109-72-8 ]
  • [ 60-29-7 ]
  • [ 124-38-9 ]
  • [ 4654-39-1 ]
  • [ 46112-46-3 ]
Reference: [1] Journal of the American Chemical Society, 1948, vol. 70, p. 4177
[2] Iowa State College Journal of Science, 1943, vol. 18, p. 65
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