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[ CAS No. 945614-14-2 ]

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2D
Chemical Structure| 945614-14-2
Chemical Structure| 945614-14-2
Structure of 945614-14-2 *Storage: {[proInfo.prStorage]}

Quality Control of [ 945614-14-2 ]

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Alternatived Products of [ 945614-14-2 ]
Alternatived Products of [ 945614-14-2 ]

Product Details of [ 945614-14-2 ]

CAS No. :945614-14-2MDL No. :
Formula : C14H10FNO Boiling Point : -
Linear Structure Formula :-InChI Key :-
M.W :227.24Pubchem ID :-
Synonyms :

Computed Properties of [ 945614-14-2 ]

TPSA : - H-Bond Acceptor Count : -
XLogP3 : - H-Bond Donor Count : -
SP3 : - Rotatable Bond Count : -

Safety of [ 945614-14-2 ]

Signal Word:Class:
Precautionary Statements:UN#:
Hazard Statements:Packing Group:

Application In Synthesis of [ 945614-14-2 ]

  • Upstream synthesis route of [ 945614-14-2 ]
  • Downstream synthetic route of [ 945614-14-2 ]

[ 945614-14-2 ] Synthesis Path-Upstream   1~1

  • 1
  • [ 945614-14-2 ]
  • [ 91407-41-9 ]
YieldReaction ConditionsOperation in experiment
100% With hydrogen In methanol at 20℃; for 3 h; Dry 10percent Pd/C(2.48 g) was placed in a 5 L flask under N2. A solution of 2-(benzyloxy)-5-fluorobenzonitrile (148 g, 651 mmol) in methanol (2.34 L) was added slowly under N2. The air of the flask was removed by vacuum and the flask was charged with H2 (balloon) three times. The mixture was stirred at room temperature for 1 hour. The above process was repeated two more times to push the reaction to completion. The mixture was stirred at room temperature for another 2 hours. The mixture was filtered through a Celite pad under N2 and washed with EtOAc (150 mL x 2). The palladium waste was rinsed with water (50 mL) and discarded. The filtrates were concentrated to give (94.6 g, 106 percent) of the desired compound as a yellow solid. MS (APCI -) m/z 137 (M-I) was detected. 1H NMR (400 MHz, DMSOd6) δ 11.07 (br, IH), 7.58 (dd, IH, J= 3.2 Hz, J = 8.2 Hz), 7.43 (m, IH), 6.91-7.03 (dd, IH J = 4.5 Hz, J = 9.2 Hz).
Reference: [1] Patent: WO2007/89646, 2007, A1, . Location in patent: Page/Page column 12; 45
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