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Chemical Structure| 17846-15-0 Chemical Structure| 17846-15-0

Structure of 17846-15-0

Chemical Structure| 17846-15-0

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Product Details of [ 17846-15-0 ]

CAS No. :17846-15-0
Formula : C11H18N2O
M.W : 194.27
SMILES Code : O=C(C12CC3CC(C2)CC(C3)C1)NN
MDL No. :MFCD00154679
InChI Key :FJXQVRADKYKERU-UHFFFAOYSA-N
Pubchem ID :337203

Safety of [ 17846-15-0 ]

GHS Pictogram:
Signal Word:Danger
Hazard Statements:H228-H302-H315-H319-H335
Precautionary Statements:P210-P240-P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P330-P362-P370+P378-P403+P233-P501
Class:4.1
UN#:1325
Packing Group:

Application In Synthesis of [ 17846-15-0 ]

* 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 [ 17846-15-0 ]

[ 17846-15-0 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 17846-15-0 ]
  • [ 16499-62-0 ]
  • C19H21FN4O [ No CAS ]
  • 2
  • [ 17846-15-0 ]
  • [ 5147-80-8 ]
  • 1-(adamantane-1-carbonyl)-5-amino-3-(methylthio)-1H-pyrazole-4-carbonitrile [ No CAS ]
YieldReaction ConditionsOperation in experiment
72% With piperidine; In ethanol; for 2h;Reflux; A mixture of adamantane-1-carbohydrazide (3) (0.01mol), 2-(bis(methylthio)methylene)malono-nitrile (0.01mol), in absolute ethanol (20mL) catalyzed with piperidine (0.5mL) was heated under reflux for 2h. The solid product formed was collected by filtration and crystallized from ethanol. Orange powder, yield 72%, M.p.=238-240C, IR (KBr, cm-1): 3231, 3166 (NH2), 2911, 2849 (CH aliph.) 2215, (CN) and 1693 (C=O); 1H NMR (400MHz, DMSO) δ 1.63-1.70 (m, 6H, 3CH2), 2.02 (s, 3H, 3CH), 2.18 (s, 6H, 3CH2), 2.55 (s, 3H, S-Me), 8.11 (s,2H, NH2, exchangeable by D2O); 13C NMR (101MHz, DMSO) δ 9.11 (S-Me), 27.70, 27.92, 28.03, 36.30, 36.57, 37.57, 38.97, 44.54, 46.21 (Adamant. Cs), 71.47 (C-CN), 113.42 (CN), 152.00 (C=N), 157.08 (C-NH2), 178.40 (C=O); MS (EI, 70eV): m/z (%)=316.67 [M+] (26.94%), 153 (100%); Anal. Calcd for C16H20N4OS (316.42): C; 60.73, H; 6.37; N; 17.71. Found: C; 60.43, H; 6.32, N; 18.04.
 

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