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Chemical Structure| 63464-84-6 Chemical Structure| 63464-84-6

Structure of 63464-84-6

Chemical Structure| 63464-84-6

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Product Details of [ 63464-84-6 ]

CAS No. :63464-84-6
Formula : C7H5NO2
M.W : 135.12
SMILES Code : O=C(C1=CC=CN=C1)C=O
MDL No. :MFCD10698537

Safety of [ 63464-84-6 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H312-H332
Precautionary Statements:P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501

Application In Synthesis of [ 63464-84-6 ]

* 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 [ 63464-84-6 ]

[ 63464-84-6 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 63464-84-6 ]
  • [ 51746-85-1 ]
YieldReaction ConditionsOperation in experiment
With formaldehyd; ammonia; In water; dimethyl sulfoxide; at -3 - 30℃; Example 3 Synthesis of 3-(4-Imidazolyl)pyridine 3-(Dibromoacetyl)pyridine hydrobromide (3.00 g, 8.34 mmol) and DMSO (6 ml) were added in a reaction vessel and the mixture was stirred at 33-36 C. for 4 hr. As a result of the confirmation by HPLC, an area percentage of (3-pyridyl)glyoxal was 33.8%. After cooling to 20 C., Na2CO3 (0.44 g, 4.2 mmol) was added and the mixture was stirred at room temperature for 2 days (the reaction mixture A). As a result of the HPLC analysis, an area percentage of (3-pyridyl)glyoxal was 71.2%. Separately, formaldehyde (6.77 g, 0.083 mol) was added dropwise 28% aqueous ammonia (15.21 g, 0.25 mol) under ice-cooling at not more than 10 C. to prepare reaction mixture B. The reaction mixture A was diluted with H2O (4 ml) and the dilute reaction mixture A was added dropwise to the reaction mixture B at -3 to 2 C. The mixture was stirred overnight at 20-30 C. to give 3-(4-imidazolyl)pyridine. From the LC analysis, the yield thereof was 59.3%. 1H-NMR(400 MHz, CDCl3) delta 8.99 (d, J=2.0 Hz, 1H), 8.43(dd, J=4.9, 1.5 Hz, 1H), 8.05(dt, J=8.3, 2.0 Hz, 1H), 7.77(d, J=1.0 Hz, 1H), 7.43(d, J=1.0 Hz, 1H), 7.29(dd, J=7.8, 4.9 Hz, 1H). melting point: 117.0-118.3 C.
 

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