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Chemical Structure| 95-86-3 Chemical Structure| 95-86-3

Structure of 95-86-3

Chemical Structure| 95-86-3

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Product Details of [ 95-86-3 ]

CAS No. :95-86-3
Formula : C6H8N2O
M.W : 124.14
SMILES Code : OC1=CC=C(N)C=C1N
MDL No. :MFCD00025290
InChI Key :XIWMTQIUUWJNRP-UHFFFAOYSA-N
Pubchem ID :7266

Safety of [ 95-86-3 ]

GHS Pictogram:
Signal Word:Danger
Hazard Statements:H302-H315-H318-H335
Precautionary Statements:P261-P280-P305+P351+P338
Class:8
UN#:3259
Packing Group:

Application In Synthesis of [ 95-86-3 ]

* 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 [ 95-86-3 ]

[ 95-86-3 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 42860-10-6 ]
  • [ 95-86-3 ]
  • C13H8BrClN2O [ No CAS ]
YieldReaction ConditionsOperation in experiment
With polyphosphoric acid; at 170℃; for 12h; General procedure: In a 250-mL round bottom flask, 2,4-diaminophenol-1(20 mmol) and halobenzoic acid 2a (20 mmol) were mixed withPPA (100 g). The solutionwas stirred under 170 C for 12 h. After thecompletion of reaction monitored by TLC, the mixture wasneutralized with concentrated KOH solution. A dark brown precipitateformed, which was filtered to give a dark brown solid. Thedark brown solid was dissolved in 50 mL of ethyl acetate, and thesolution was washed twice with water (50 mL) and once withsaturated aqueous brine (50 mL). After the organic phase was driedover anhydrous sodium sulfate, product 3 (yellow solid,yield > 90%) was obtained by silica gel column chromatography(petroleum ether: ethyl acetate 3: 1).
 

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