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Chemical Structure| 70254-44-3 Chemical Structure| 70254-44-3

Structure of 70254-44-3

Chemical Structure| 70254-44-3

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Product Details of [ 70254-44-3 ]

CAS No. :70254-44-3
Formula : C9H7NO2
M.W : 161.16
SMILES Code : O=C1C=C(O)NC2=C1C=CC=C2
MDL No. :MFCD18836846
InChI Key :HDHQZCHIXUUSMK-UHFFFAOYSA-N
Pubchem ID :54680871

Safety of [ 70254-44-3 ]

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

Application In Synthesis of [ 70254-44-3 ]

* 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 [ 70254-44-3 ]

[ 70254-44-3 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 70254-44-3 ]
  • [ 5147-80-8 ]
  • 3-(methylthio)-4-oxo-4,5-dihydrofuro[3,2-c]quinoline-2-carbonitrile [ No CAS ]
  • 3-(methylthio)-4-oxo-4,5-dihydrofuro[3,2-c]quinoline-2-carboxamide [ No CAS ]
YieldReaction ConditionsOperation in experiment
45%; 25% With triethylamine; In N,N-dimethyl-formamide; at 100℃; General procedure: A 100 cm3 round-bottom flask was flame-dried, a mixture of 1a-1f (1 mmol), 2 (1 mmol), 50 cm3 DMF, and 0.5 cm3 of Et3N was refluxed for 12-16 h with stirring (the reaction was followed by TLC analysis). After the reaction’s completion, the formed products 3a-3f were filtered off. The filtrate was then concentrated to half its volume. The second products 4a-4f were obtained by filtration. All products 3a-3f and 4a-4f were recrystallized from the stated solvents. 3-(Methylthio)-4-oxo-4,5-dihydrofuro[3,2-c]quinoline-2-carbonitrile(3a, C13H8N2O2S)Yield: 0.115 g (45%); colorlesscrystals (DMF/EtOH); m.p.: 298-300 C; Rf = 0.5 (toluene:AcOEt 5:1); 1H NMR (400 MHz, DMSO-d6): δ = 12.20 (bs,1H, NH), 7.90 (dd, J = 7.7, 1.5 Hz, 1H, H-9), 7.50-7.20 (m,3H, Ar-H), 2.00 (s, 3H, SCH3)ppm; 13C NMR (100 MHz,DMSO-d6): δ = 164.0 (C-4), 158.0 (C-9b), 132.5, 132.0,131.4, 129.8 (Ar-C), 128.0, 126.4, 125.5 (Ar-CH), 124.2,123.0 (Ar-C), 110.8 (CN), 13.1 (SCH3) ppm; MS (FAB,70 eV): m/z (%) = 256 (M+, 60); IR (KBr): = 3230 (NH),3099 (Ar-H), 2205 (CN), 1640 (C = O), 1600 (Ar-C = N),1596 (Ar-C = C) cm-1.
 

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Technical Information

• Appel Reaction • Baeyer-Villiger Oxidation • Barbier Coupling Reaction • Baylis-Hillman Reaction • Bucherer-Bergs Reaction • Buchwald-Hartwig C-N Bond and C-O Bond Formation Reactions • Chugaev Reaction • Clemmensen Reduction • Corey-Bakshi-Shibata (CBS) Reduction • Corey-Chaykovsky Reaction • Corey-Kim Oxidation • Dess-Martin Oxidation • Fischer Indole Synthesis • Grignard Reaction • Henry Nitroaldol Reaction • Horner-Wadsworth-Emmons Reaction • Hydride Reductions • Jones Oxidation • Lawesson's Reagent • Leuckart-Wallach Reaction • Martin's Sulfurane Dehydrating Reagent • McMurry Coupling • Meerwein-Ponndorf-Verley Reduction • Mitsunobu Reaction • Moffatt Oxidation • Oxidation of Alcohols by DMSO • Passerini Reaction • Paternò-Büchi Reaction • Petasis Reaction • Peterson Olefination • Pictet-Spengler Tetrahydroisoquinoline Synthesis • Preparation of Alcohols • Preparation of Aldehydes and Ketones • Preparation of Amines • Prins Reaction • Reactions of Alcohols • Reactions of Aldehydes and Ketones • Reactions of Amines • Reactions with Organometallic Reagents • Reformatsky Reaction • Ritter Reaction • Robinson Annulation • Schlosser Modification of the Wittig Reaction • Schmidt Reaction • Sharpless Olefin Synthesis • Specialized Acylation Reagents-Ketenes • Stobbe Condensation • Swern Oxidation • Tebbe Olefination • Ugi Reaction • Wittig Reaction • Wolff-Kishner Reduction

Categories

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