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Chemical Structure| 1149352-55-5 Chemical Structure| 1149352-55-5

Structure of 1149352-55-5

Chemical Structure| 1149352-55-5

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Product Details of [ 1149352-55-5 ]

CAS No. :1149352-55-5
Formula : C10H9N3O2
M.W : 203.20
SMILES Code : O=C(O)C1=CC(C)=CC=C1N2N=NC=C2
MDL No. :MFCD22124907

Safety of [ 1149352-55-5 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H315-H319-H335
Precautionary Statements:P261-P280-P301+P312-P302+P352-P305+P351+P338

Application In Synthesis of [ 1149352-55-5 ]

* 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 [ 1149352-55-5 ]

[ 1149352-55-5 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 288-36-8 ]
  • [ 6967-82-4 ]
  • [ 956317-36-5 ]
  • [ 1149352-55-5 ]
YieldReaction ConditionsOperation in experiment
With copper(l) iodide; (1S,2S)-N,N'-dimethyl-1,2-diaminocyclohexane; caesium carbonate; In N,N-dimethyl-formamide; at 120℃; for 1h;Microwave irradiation; 5-methyl-2-(2H- 1 .2.3-triazol-2-ylbenzoic acid and 5-methyl-2-( 1 H-i .2,3 -triazol- 1-ylbenzoic acid The mixture of <strong>[6967-82-4]2-bromo-5-methylbenzoic acid</strong> (1 g, 4.65 mmol), 1,2,3-triazole (0.58 g, 8.37 mmol), (1S,2S)-N1,N2-dimethylcyclohexane-1,2-diamine (0.265 g, 1.86 mmol), Cs2CO3 (3.0 g, 9.3 mmol) and CuT (0.089 g, 0.465 mmol) in DMF (15 mL) was degassed and heated at 120 C for lh in a microwave reactor. The reaction was cooled to RT, diluted with MeOH,and acidified with AcOH to pH45. The solvent was removed in vacuo to obtain the crude which was purified by silica gel chromatography (O 100% DCM/EtOAc) to obtain the faster eluting acid 5-methyl-2-(2H-1,2,3-triazol-2-yl)benzoic acid as the major product and the second eluting 5-methyl-2-(1H-1,2,3-triazol-1-yl)benzoic acid as the minor product. ESI-MS (mlz): 204, [M+1].
 

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