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Chemical Structure| 6623-89-8 Chemical Structure| 6623-89-8

Structure of 6623-89-8

Chemical Structure| 6623-89-8

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Product Details of [ 6623-89-8 ]

CAS No. :6623-89-8
Formula : C11H5N3O
M.W : 195.18
SMILES Code : N#CC(C#N)=C1C(NC2=C1C=CC=C2)=O
MDL No. :MFCD00175750

Safety of [ 6623-89-8 ]

GHS Pictogram:
Signal Word:Danger
Hazard Statements:H301+H311+H331-H315-H319
Precautionary Statements:P501-P261-P270-P271-P264-P280-P337+P313-P305+P351+P338-P361+P364-P332+P313-P301+P310+P330-P302+P352+P312-P304+P340+P311-P403+P233-P405
Class:6.1
UN#:3439
Packing Group:

Application In Synthesis of [ 6623-89-8 ]

* 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 [ 6623-89-8 ]

[ 6623-89-8 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 6623-89-8 ]
  • [ 138964-51-9 ]
  • 2'-amino-9'-bromo-2,5'-dioxo-5',6'-dihydrospiro[indoline-3,4'-pyrano-[3,2-c]quinolone]-3'-carbonitrile [ No CAS ]
YieldReaction ConditionsOperation in experiment
90% With pyridine;Reflux; General procedure: A 100 cm3 round-bottom flask was flame-dried, a mixtureof 1a-1f (1 mmol), 2 (1 mmol), and 20 cm3 dry pyridinewas refluxed for 8-10 h with stirring (the reaction wasfollowed by TLC analysis). After the reaction’s completion,solvent was then removed under vacuum and theresidue was separated. The solid residue undergoesrecrystallization from the stated solvents to give purecrystals of spiro-compounds 3a-3f
  • 2
  • [ 52851-41-9 ]
  • [ 6623-89-8 ]
  • 2-amino-5,6-dihydro-5-oxo-4-(1',3-dihydro-2'H-indol-2-on)spiro-4H-pyrano(3,2-c)quinoline-3-carbonitrile [ No CAS ]
YieldReaction ConditionsOperation in experiment
85% With pyridine;Reflux; General procedure: A 100 cm3 round-bottom flask was flame-dried, a mixtureof 1a-1f (1 mmol), 2 (1 mmol), and 20 cm3 dry pyridinewas refluxed for 8-10 h with stirring (the reaction wasfollowed by TLC analysis). After the reaction?s completion,solvent was then removed under vacuum and theresidue was separated. The solid residue undergoesrecrystallization from the stated solvents to give purecrystals of spiro-compounds 3a-3f. 20-Amino-2,50-dioxo-50,60-dihydrospiro[indoline-3,40-pyrano-[3,2-c]quinolone]-30-carbonitrile (3a, C20H12N4O3)Colorless crystals (DMF); yield 303 mg (85%), m.p.:298-300 C; NMR (DMSO-d6): see Table 1; IR (KBr):m = 3372-3207 (NH, NH2), 3099 (Ar-H), 2205 (CN),1725, 1672, 1642 (C=O), 1600, 1596 (Ar-C=N, Ar-C=C)cm-1; MS (FAB, 70 eV): m/z = 356 (M?, 100).Crystal structure data for 3a: colourless crystals,C20H12N4O32(C3H7NO), Mr = 502.53, crystal size0.16 9 0.10 9 0.08 mm, monoclinic, space group P21/c(No. 14), a = 10.8078(3) A , b = 21.4185(6) A ,c = 11.0025(3) A , b = 106.635(1), V = 2440.34(12)A 3, Z = 4, q = 1.368 Mg m-3, l(Cu-Ka) = 0.805 mm-1,F(000) = 1056, 2hmax = 144.4, 26,760 reflections, ofwhich 4805 were independent (Rint = 0.042), 351 parameters,4 restraints, R1 = 0.038 (for 4182 I[2r(I)),wR2 = 0.097 (all data), S = 1.06, largest diff. peak/-hole = 0.297/- 0.206 e A -3.
 

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