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Chemical Structure| 39070-63-8 Chemical Structure| 39070-63-8

Structure of 39070-63-8

Chemical Structure| 39070-63-8

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Product Details of [ 39070-63-8 ]

CAS No. :39070-63-8
Formula : C13H12N2O
M.W : 212.25
SMILES Code : O=C(C1=CC=C(N)C(N)=C1)C2=CC=CC=C2
MDL No. :MFCD00007727
InChI Key :RXCOGDYOZQGGMK-UHFFFAOYSA-N
Pubchem ID :135520

Safety of [ 39070-63-8 ]

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

Application In Synthesis of [ 39070-63-8 ]

* 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 [ 39070-63-8 ]

[ 39070-63-8 ] Synthesis Path-Downstream   1~4

  • 1
  • [ 3973-08-8 ]
  • [ 39070-63-8 ]
  • phenyl(2-(thiazol-4-yl)-1H-benzo[d]imidazol-5-yl)methanone [ No CAS ]
  • 2
  • [ 53911-68-5 ]
  • [ 39070-63-8 ]
  • C24H21ClN2O4 [ No CAS ]
  • C24H21ClN2O4 [ No CAS ]
YieldReaction ConditionsOperation in experiment
In 1,4-dioxane; for 0.5h;Reflux; The solution of commercial 3,4-diaminobenzophenone (0.43 g) and 3-(4- chlorophenyl)glutaric anhydride (0.45 g) in 1,4-dioxane (3 ml) was stirred under reflux for 0.5 h. 4M HCI in 1,4-dioxane (3 ml) was added and the solution is further heated to reflux for 2.5 h. After cooling to rt the precipitate is collected by suction filtration and washed with 1,4-dioxane and diethyl ether. The crude is recrystallised from acetic acid to give 4-(5-benzoyl-2-benzimidazolyl)-3-(4-chlorophenyl)butanoic acid HCI (0.64 g) as light brown solid.1H-NMR (500 MHz, DMSOd5)): delta (ppm) = 2.74 (dd, J = 16.2, 8.6 Hz, IH), 2.85 (dd, J = 16.2, 6.1 Hz, IH), 3.50 (dd, J = 15.0, 9.1 Hz, IH), 3.60 (dd, J = 15.0, 6.9 Hz, IH), 3.91 (m, IH), 7.32 (d, J = 8.5 Hz, 2H), 7.39 (d, J = 8.5 Hz, 2H), 7.58 (t, J = 7.6 Hz, 2H), 7.70 (t, J = 7.4 Hz, IH), 7.75 (dd, J = 8.3, 1.3 Hz, 2H), 7.83 (dd, J = 8.6, 1.5 Hz, IH), 7.86 (d, J = 8.6 Hz, IH), 8.01 (d, J = 1.4 Hz, IH). 13C-NMR and DEPT (125 MHz, DMSOd6) : delta (ppm) = 32.83 (CH2), 39.17 (CH), 39.67 (CH2), 113.91 (CH), 115.78 (CH), 126.51 (CH), 128.37 (2 CH), 128.52 (2 CH), 129.19 (2 CH), 129.54 (2 CH), 131.02 (C), 131.46 (C), 132.70 (CH), 133.79 (C), 133.95 (C), 136.90 (C), 140.75 (C), 154.47 (C), 172.14 (CO), 194.71 (CO).
  • 3
  • [ 53911-68-5 ]
  • [ 39070-63-8 ]
  • [ 1221961-96-1 ]
YieldReaction ConditionsOperation in experiment
The solution of commercial 3,4-diaminobenzophenone (0.43 g) and <strong>[53911-68-5]3-(4-chlorophenyl)glutaric anhydride</strong> (0.45 g) in 1,4-dioxane (3 ml) was stirred under reflux for 0.5 h. 4M HCl in 1,4-dioxane (3 ml) was added and the solution is further heated to reflux for 2.5 h. After cooling to rt the precipitate is collected by suction filtration and washed with 1,4-dioxane and diethyl ether. The crude is recrystallised from acetic acid to give 4-(5-benzoyl-2-benzimidazolyl)-3-(4-chlorophenyl)butanoic acid HCl (0.64 g) as light brown solid.1H-NMR (500 MHz, DMSO-d6)): delta (ppm)=2.74 (dd, J=16.2, 8.6 Hz, 1H), 2.85 (dd, J=16.2, 6.1 Hz, 1H), 3.50 (dd, J=15.0, 9.1 Hz, 1H), 3.60 (dd, J=15.0, 6.9 Hz, 1H), 3.91 (m, 1H), 7.32 (d, J=8.5 Hz, 2H), 7.39 (d, J=8.5 Hz, 2H), 7.58 (t, J=7.6 Hz, 2H), 7.70 (t, J=7.4 Hz, 1H), 7.75 (dd, J=8.3, 1.3 Hz, 2H), 7.83 (dd, J=8.6, 1.5 Hz, 1H), 7.86 (d, J=8.6 Hz, 1H), 8.01 (d, J=1.4 Hz, 1H).13C-NMR and DEPT (125 MHz, DMSO-d6): delta (ppm)=32.83 (CH2), 39.17 (CH), 39.67 (CH2), 113.91 (CH), 115.78 (CH), 126.51 (CH), 128.37 (2CH), 128.52 (2CH), 129.19 (2CH), 129.54 (2CH), 131.02 (C), 131.46 (C), 132.70 (CH), 133.79 (C), 133.95 (C), 136.90 (C), 140.75 (C), 154.47 (C), 172.14 (CO), 194.71 (CO).
  • 4
  • [ 422-64-0 ]
  • [ 39070-63-8 ]
  • [ 1384163-57-8 ]
 

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