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Chemical Structure| 612-35-1 Chemical Structure| 612-35-1
Chemical Structure| 612-35-1

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2-Benzylbenzoic acid can be used for compound synthesis

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Product Details of 2-Benzylbenzoic acid

CAS No. :612-35-1
Formula : C14H12O2
M.W : 212.24
SMILES Code : O=C(O)C1=CC=CC=C1CC2=CC=CC=C2
MDL No. :MFCD00002484
InChI Key :FESDHLLVLYZNFY-UHFFFAOYSA-N
Pubchem ID :11924

Safety of 2-Benzylbenzoic acid

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H315-H319-H335
Precautionary Statements:P261-P305+P351+P338

Application In Synthesis of 2-Benzylbenzoic acid

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Downstream synthetic route of [ 612-35-1 ]

[ 612-35-1 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 612-35-1 ]
  • [ 7510-28-3 ]
  • 2
  • [ 161609-84-3 ]
  • [ 612-35-1 ]
  • [ 476492-94-1 ]
YieldReaction ConditionsOperation in experiment
With n-butyllithium; diisopropylamine; In tetrahydrofuran; hexane; water; at -78 - 0℃; for 25h; Diisopropylamine (6.2 ml) was dissolved in tetrahydrofuran (50 ml), and a solution (1.59 M, 28 ml) of n-butyllithium in hexane was added dropwise at -78C. The mixture was stirred at 0C for 30 min and cooled to -78C. A solution (20 ml) of 2-benzylbenzoic acid (4.2 g) in tetrahydrofuran was added dropwise to the reaction solution, and the mixture was stirred at 0C for 30 min and cooled to - 78C. A solution (20 ml) of <strong>[161609-84-3]1-benzyloxycarbonyl-4-cyanopiperidine</strong> (5.3 g) in tetrahydrofuran was added dropwise to the reaction solution, and the mixture was stirred at -78C for one day. After the completion of the reaction, water was added to the reaction solution, and the mixture was extracted with ethyl acetate. The extract was dried over magnesium sulfate, and the solvent was concentrated. The obtained residue was subjected to silica gel column chromatography. A chloroform:methanol=40:1 effluent fraction was concentrated, and diisopropyl ether was added to the precipitated crystals. The crystals were collected by filtration to give 3-(1-benzyloxycarbonylpiperidin-4-yl)-4-phenyl-2H-isoquinolin-1-one (2.1 g) as white crystals (melting point: 276-278C). 3- (1-Benzyloxycarbonylpiperidin-4-yl)-4-phenyl-2H-isoquinolin-1-one (2.0 g) was suspended in chloroform (10 ml), and a solution (5 ml) of hydrobromic acid in acetic acid was added dropwise. After the completion of the reaction, the solvent was concentrated, and acetone was added to the obtained residue. The precipitated crystals were collected by filtration to give 4-phenyl-3-(piperidin-4-yl)-2H-isoquinolin-1-one hydrobromide (1.5 g) . melting point: >270C.1H-NMR(DMSO-d6) d: 1.71-1.75(2H,m), 2.05-2.15(2H,m), 2.54-2.68(2H,m), 3.23-3.29(2H,m), 6.84(1H,d,J=8Hz), 7.26(2H,d,J=6Hz), 7.42-7.58(5H,m), 8.20-8.22(1H,m), 8.69(1H,brS), 11. 09 (1H,brS).
 

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