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Chemical Structure| 934-48-5 Chemical Structure| 934-48-5

Structure of 934-48-5

Chemical Structure| 934-48-5

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Product Details of [ 934-48-5 ]

CAS No. :934-48-5
Formula : C6H9N3O
M.W : 139.16
SMILES Code : O=C(N1N=C(C)C=C1C)N
MDL No. :MFCD00003126
InChI Key :AKRDSDDYNMVKCX-UHFFFAOYSA-N
Pubchem ID :70280

Safety of [ 934-48-5 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H315-H319-H335
Precautionary Statements:P261-P305+P351+P338

Application In Synthesis of [ 934-48-5 ]

* 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 [ 934-48-5 ]

[ 934-48-5 ] Synthesis Path-Downstream   1~35

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  • [ 79-19-6 ]
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  • [ 7647-01-0 ]
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  • 20
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  • ammoniacal silver nitrate solution [ No CAS ]
  • [ 67-51-6 ]
  • 22
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  • [ 403815-86-1 ]
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  • 23
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  • 28
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  • [ 97984-45-7 ]
  • 32
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  • [ 369656-67-7 ]
  • C35H43N7O5 [ No CAS ]
YieldReaction ConditionsOperation in experiment
In DMF (N,N-dimethyl-formamide); at 80℃; for 3.0h; The compound (100.4 mg) obtained in Example 1-5 was dissolved in DMF (2 ml), and the solution was added with 3,5-dimethylpyrazole-1-carboxyamide (28.1 mg) and stirred at 80C for 3 hours. After completion of reaction, the solvent was distilled off, and the residue was purified by silica gel column chromatography (chloroform/methanol = 5/1). The purified product was dissolved in chloroform, and the resultant solution was washed with distilled water and brine. After the solution was filtered with cerite, the solvent was distilled off, and the residue was dissolved in methanol (1 ml). Subsequently, the solution was added with 4 mol/l hydrochloric acid/dioxane solution (2 ml) and stirred at room temperature for 4.5 hours. After completion of reaction, the solvent was distilled off. The residue was azeotropically distilled with methanol, to thereby obtain a hydrochloride (51.5 mg) of the subject compound as a white solid. MS(FAB,Pos.):m/z=542[M+1]+1H-NMR(500MHz,DMSO-d6) : δ=1.33-1.47(2H,m),1.51(3H,d,J=6.8Hz),1.6 3-1.79 (2H,m) ,2.93-3.02(2H,m) ,4.40(2H,s) ,4.54-4.61(1H,m) ,4.56(2 H,s),4.8-6.2(3H,br),5.70(1H,quint.,J=6.8Hz),7.45-7.58(4H,m),7. 69(2H,d,J=8.3Hz) ,7.75(2H,s) ,7.81(1H,d,J=8.1Hz) ,7.94(1H,d,J=7.8 Hz) ,7.97(2H,d,J=8.3Hz) ,8.10(1H,d,J=8.3Hz) ,8.57(1H,d,J=8.1Hz), 8 .76(1H,d,J=7.6Hz).
  • 33
  • [ 934-48-5 ]
  • copper(II) choride dihydrate [ No CAS ]
  • [ 14024-71-6 ]
  • 34
  • [ 934-48-5 ]
  • copper(II) choride dihydrate [ No CAS ]
  • [ 14024-71-6 ]
  • [ 402821-97-0 ]
  • 35
  • ammonium thiocyanate [ No CAS ]
  • [ 10196-18-6 ]
  • [ 934-48-5 ]
  • [Zn(NO3)(NCS)2(3,5-dimethyl-1-carboxamidinepyrazole)2] [ No CAS ]
 

Historical Records

Technical Information

Categories

Related Functional Groups of
[ 934-48-5 ]

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Amines

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Related Parent Nucleus of
[ 934-48-5 ]

Pyrazoles

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Similarity: 0.89

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Similarity: 0.89

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A299342 [113630-76-5]

5-Isopropyl-3-methyl-1H-pyrazole-1-carboxamide

Similarity: 0.86