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Chemical Structure| 4737-19-3 Chemical Structure| 4737-19-3

Structure of 4737-19-3

Chemical Structure| 4737-19-3

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Product Details of [ 4737-19-3 ]

CAS No. :4737-19-3
Formula : C6H4N2O
M.W : 120.11
SMILES Code : O=C=NC1=NC=CC=C1
MDL No. :MFCD08700327
InChI Key :CUIGSPBMMQWNLR-UHFFFAOYSA-N
Pubchem ID :577567

Safety of [ 4737-19-3 ]

GHS Pictogram:
Signal Word:Danger
Hazard Statements:H301-H311-H331-H341
Precautionary Statements:P201-P202-P261-P264-P270-P271-P280-P302+P352-P304+P340-P308+P313-P310-P330-P361-P403+P233-P405-P501
Class:6.1
UN#:2206
Packing Group:

Application In Synthesis of [ 4737-19-3 ]

* 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 [ 4737-19-3 ]

[ 4737-19-3 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 20358-03-6 ]
  • [ 4737-19-3 ]
  • 1-(5-bromobenzo[d]thiazol-2-yl)-3-(pyridin-2-yl)urea [ No CAS ]
YieldReaction ConditionsOperation in experiment
10% With acetic acid; at 60℃; General procedure: To a stirring solution or suspension of a benzothiazole-2-amine, or benzoxazole2-amine in acetic acid (0.2?0.5 M), the required isocyanate (1.2 eq) was added, and the reaction stirred overnight at 60°C. The solution was concentrated and purified by flash chromatography and further precipitated, triturated, and/or recrystallized to obtain pure product.
  • 2
  • [ 6296-99-7 ]
  • [ 4737-19-3 ]
  • diethyl 2-((3-pyridin-2-ylureido)methylene)malonate [ No CAS ]
YieldReaction ConditionsOperation in experiment
65% With N-ethyl-N,N-diisopropylamine; In 1,2-dichloro-ethane; at 70℃; Step 3: Diethyl 2-((3-pyridin-2-ylureido)methylene)malonate To a mixture of diethyl 2-(aminomethylene)malonate (3.0 g, 16.0 mmol) and 2-isocyanatopyridine (2.02 g, 16.8 mmol) in 1,2-dichloroethane (9.0 mL) at rt was added N,N-diisopropylethylamine (3.6 mL, 20.8 mmol). The reaction mixture was then stirred at 70 C. overnight, cooled to rt, and directly purified via column chromatography (0% to 15% MeOH in CH2Cl2) to give the product (3.18 g, 65%). LCMS calcd for C14H18N3O5 (M+H)+: m/z=308.1. Found: 308.1.
65% With N-ethyl-N,N-diisopropylamine; In 1,2-dichloro-ethane; at 70℃; To a mixture of diethyl 2-(aminomethylene)malonate (3.0 g, 16.0 mmol) and 2- isocyanatopyridine (2.02 g, 16.8 mmol) in 1 ,2-dichloroethane (9.0 mL) at rt was added N,N- diisopropylethylamine (3.6 mL, 20.8 mmol). The reaction mixture was then stirred at 70 °C overnight, cooled to rt, and directly purified via column chromatography (0percent to 15percent MeOH in CH2CI2) to give the product (3.18 g, 65percent). LCMS calcd for C14H18N3O5 (M+H)+: m/z = 308.1. Found: 308.1.
 

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