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Chemical Structure| 18440-58-9 Chemical Structure| 18440-58-9

Structure of 18440-58-9

Chemical Structure| 18440-58-9

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Product Details of [ 18440-58-9 ]

CAS No. :18440-58-9
Formula : C9H9ClN2O
M.W : 196.63
SMILES Code : O=C(C)/C(Cl)=N/NC1=CC=CC=C1
MDL No. :MFCD01106396

Safety of [ 18440-58-9 ]

GHS Pictogram:
Signal Word:Danger
Hazard Statements:H302-H314
Precautionary Statements:P264-P270-P271-P280-P303+P361+P353-P304+P340-P305+P351+P338-P310-P330-P331-P363-P403+P233-P501
Class:8
UN#:1759
Packing Group:

Application In Synthesis of [ 18440-58-9 ]

* 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 [ 18440-58-9 ]

[ 18440-58-9 ] Synthesis Path-Downstream   1~3

  • 1
  • [ 36822-11-4 ]
  • [ 18440-58-9 ]
  • [ 444902-74-3 ]
  • 2
  • [ 13708-12-8 ]
  • [ 18440-58-9 ]
  • [ 1204416-09-0 ]
  • 3,10-diacetyl-1,12-diphenyl-5-methyl-1,12,12a,12b-tetrahydrobis[1,2,4]triazolo[4,3-a:3',4'-c]quinoxaline [ No CAS ]
  • 3
  • [ 3382-18-1 ]
  • [ 18440-58-9 ]
  • 1-(8,9-dimethoxy-1-phenyl-1,5,6,10b-tetrahydro[1,2,4]triazolo[3,4-a]isoquinolin-3-yl)ethan-1-one [ No CAS ]
YieldReaction ConditionsOperation in experiment
70% With triethylamine; In tetrahydrofuran; for 8h;Reflux; To a solution of hydrazonyl halide i (5 mmol) and 6,7-dimethoxy-3,4-dihydroisoquinoline iii (5 mmo) in tetrahydrofuran (THF) (40 ml) was added triethylamine (TEA) (1.4 ml, 10 mmol) at room temperature. The reaction mixture was refluxed for 8 h. The mixture was then poured on water and extracted with ethyl acetate. The organic layer was collected, dried over anhydrous sodium sulfate and then filtered. The solvent was evaporated under reduced pressure. The solid product was collected and crystallized from ethanol. Yield: (70%) as an orange solid (from ethanol); m.p 130-132 C. IR (KBr, cm-1): 1660 (CO); 1H NMR (300 MHz, DMSO-d6): δ, ppm: 2.5 (s, 3H, CH3), 2.7 (m, 2H, CH2), 3.6 (s, 3H, OMe), 3.7 (s, 3H, OMe), 4.0 (m, 2H, CH2), 6.5 (s, 1H, H10b), 6.6 (s, 1H, H7), 6.7 (s, 1H, H10) 6.9-7.4 (m, 5H, Ph-H) MS (EI): m/z = 351 (M+). Anal. Calcd. for C20H21N3O3 (351.41): C, 68.36; H, 6.02; N, 11.96. Found: C, 68.56; H, 6.14; N, 11.88.
70% With triethylamine; In tetrahydrofuran; for 8h;Reflux; To a solution of hydrazonyl halide, i (5 mmol) and 6,7-dimethoxy-3,4-dihydroisoquinoline ii (5 mmol) in tetrahydrofuran (THF) (40 ml) were added triethylamine (TEA) (1.4 ml, 10 mmol) at room temperature. The reaction mixture was refluxed for 8 h. The mixture was then poured on water and extracted with ethyl acetate. The organic layer was collected, dried over anhydrous sodium sulfate, and then filtered. The solvent was evaporated under reduced pressure. The solid product was collected and crystallized from ethanol. Yield: (70%) as an orange solid (from ethanol); m.p 130-132 C. IR (KBr, cm-1): 1660 (CO); 1H NMR (300 MHz, DMSO-d6): δ, ppm: 2.5 (s, 3 H, CH3), 2.7 (m, 2 H, CH2), 3.6 (s, 3 H, OMe), 3.7 (s, 3 H, OMe), 4.0 (m, 2 H, CH2), 6.5 (s, 1 H, H10b), 6.6 (s, 1 H, H7), 6.7 (s, 1 H, H10), 6.9-7.4 (m, 5 H, Ph-H) MS (EI): m/z = 351 (M+). Anal. Calcd. for C20H21N3O3 (351.41): C, 68.36; H, 6.02; N, 11.96. Found: C, 68.56; H, 6.14; N, 11.88.
 

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Technical Information

• Alkyl Halide Occurrence • Baeyer-Villiger Oxidation • Barbier Coupling Reaction • Baylis-Hillman Reaction • Bucherer-Bergs Reaction • Buchwald-Hartwig C-N Bond and C-O Bond Formation Reactions • Chan-Lam Coupling Reaction • Clemmensen Reduction • Corey-Bakshi-Shibata (CBS) Reduction • Corey-Chaykovsky Reaction • Fischer Indole Synthesis • General Reactivity • Grignard Reaction • Henry Nitroaldol Reaction • Hiyama Cross-Coupling Reaction • Horner-Wadsworth-Emmons Reaction • Hydride Reductions • Kinetics of Alkyl Halides • Kumada Cross-Coupling Reaction • Lawesson's Reagent • Leuckart-Wallach Reaction • Mannich Reaction • McMurry Coupling • Meerwein-Ponndorf-Verley Reduction • Passerini Reaction • Paternò-Büchi Reaction • Petasis Reaction • Peterson Olefination • Pictet-Spengler Tetrahydroisoquinoline Synthesis • Preparation of Aldehydes and Ketones • Preparation of Amines • Prins Reaction • Reactions of Aldehydes and Ketones • Reactions of Alkyl Halides with Reducing Metals • Reactions of Amines • Reactions of Benzene and Substituted Benzenes • Reformatsky Reaction • Robinson Annulation • Schlosser Modification of the Wittig Reaction • Schmidt Reaction • Specialized Acylation Reagents-Ketenes • Specialized Acylation Reagents-Vilsmeier Reagent • Stille Coupling • Stobbe Condensation • Substitution and Elimination Reactions of Alkyl Halides • Suzuki Coupling • Tebbe Olefination • Ugi Reaction • Wittig Reaction • Wolff-Kishner Reduction

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