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Chemical Structure| 136812-21-0 Chemical Structure| 136812-21-0

Structure of 136812-21-0

Chemical Structure| 136812-21-0

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Product Details of [ 136812-21-0 ]

CAS No. :136812-21-0
Formula : C11H7ClN2
M.W : 202.64
SMILES Code : N#CC1=CC2=CC=CC(C)=C2N=C1Cl
MDL No. :MFCD08437565
InChI Key :LEHPWUWENXRLSY-UHFFFAOYSA-N
Pubchem ID :15707538

Safety of [ 136812-21-0 ]

GHS Pictogram:
Signal Word:Danger
Hazard Statements:H302-H318
Precautionary Statements:P280-P305+P351+P338
Class:8
UN#:1759
Packing Group:

Application In Synthesis of [ 136812-21-0 ]

* 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 [ 136812-21-0 ]

[ 136812-21-0 ] Synthesis Path-Downstream   1~16

  • 1
  • [ 136812-21-0 ]
  • [ 136812-25-4 ]
  • 2
  • [ 136812-21-0 ]
  • 8-methyl-2-thioxo-1,2-dihydro-quinoline-3-carbonitrile [ No CAS ]
  • 3
  • [ 136812-21-0 ]
  • 3-amino-2-cyano-8-methylthieno[2,3-b]quinoline [ No CAS ]
  • 4
  • [ 136812-21-0 ]
  • [ 536-74-3 ]
  • [ 1100051-08-8 ]
YieldReaction ConditionsOperation in experiment
With palladium diacetate; triethylamine; triphenylphosphine; In acetonitrile; at 80.0℃; for 5.0h;Inert atmosphere; General procedure: A mixture of substituted 2-chloroquinoline-3-carbonitriles 1(a-h) (0.25mmol), phenylacetylene (0.26mmol), Pd(OAc)2 (5mol%)and PPh3 (10mol%) in CH3CN (2mL) and TEA (2equiv) were stirred under N2 at 80C, after completion of reaction (as monitored by TLC), solvent was evaporated and further Pd(OAc)2 (5mol%), PPh3 (10mol%), K2CO3 (1.5equiv) and 4mL of methanol were added under aerobic condition at 80C upto completion. The mixture was concentrated in vacuo and residue was purified by column chromatography on silica gel using EtOAc/hexane as eluent.
  • 6
  • [ 50-01-1 ]
  • [ 136812-21-0 ]
  • [ 1346509-57-6 ]
YieldReaction ConditionsOperation in experiment
89% General procedure: To a mixture of 1 (1 mmol) and binucleophile 2 (1 mmol) in 2-3 mL of EtOH was added t-BuOK (0.5 mmol), reaction mixture was stirred at 90 C. After completion of the reaction, mixture poured into ice-cold water, solid product filtered and washed with water (3×5 mL) and further purified by column chromatography on silica gel (60-120 mesh) using EtOAc/hexane as eluent in 4:6 ratio to yielded pure product 3.
  • 7
  • [ 136812-21-0 ]
  • [ 100-46-9 ]
  • [ 351358-89-9 ]
YieldReaction ConditionsOperation in experiment
86% In water; at 90.0℃; for 0.916667h; General procedure: Light green solid; yield: 86%; mp 121 C; 1H NMR (300 MHz, CDCl3): δ=2.60 (s, 3H), 4.83 (d, J=5.7 Hz, 2H), 5.62 (br s, 1H, D2O exchangeable), 7.17 (t, J=7.5 Hz, 1H), 7.25-7.37 (m, 2H), 7.43-7.52 (m, 5H), 8.20 (s, 1H); 13C NMR (75 MHz, CDCl3): δ=17.7, 45.4, 95.0, 116.6, 121.0, 123.0, 125.8, 127.3, 127.9, 128.5, 132.9134.9, 138.8, 144.0, 148.0, 152.7; IR (KBr, cm-1): 2222 (CN), 3450 (NH). Anal. Calcd for C18H15N3: C, 79.10; H, 5.53; N, 15.37%. Found: C, 78.99; H, 5.46; N, 15.19%.
  • 8
  • [ 136812-21-0 ]
  • [ 100-46-9 ]
  • [ 1415354-62-9 ]
  • 9
  • [ 136812-21-0 ]
  • [ 536-74-3 ]
  • 1-methoxy-6-methyl-3-phenylbenzo[b][1,6]naphthyridine [ No CAS ]
  • 10
  • [ 136812-21-0 ]
  • [ 536-74-3 ]
  • 1-benzylsulfanyl-6-methyl-3-phenylbenzo[b][1,6]naphthyridine [ No CAS ]
  • 11
  • [ 931-53-3 ]
  • [ 136812-21-0 ]
  • 2‐cyclohexyl‐1‐imino‐5‐methyl‐1H‐pyrrolo[3,4‐b]quinolin‐3(2H)‐one [ No CAS ]
  • 12
  • [ 36635-61-7 ]
  • [ 136812-21-0 ]
  • 8‐methyl‐2‐tosylquinoline‐3‐carbonitrile [ No CAS ]
  • 13
  • [ 2999-46-4 ]
  • [ 136812-21-0 ]
  • ethyl 4‐cyano‐9‐methylimidazo[1,5‐a]quinoline‐3‐carboxylate [ No CAS ]
  • 14
  • [ 136812-21-0 ]
  • (E)-5-methyl-3-(4-methylbenzylidene)-2,3-dihydro-1H-pyrrolo[3,4-b]quinolin-1-one [ No CAS ]
  • 15
  • [ 136812-21-0 ]
  • 6-methyl-3-(p-tolyl)-1H-thiopyrano[4,3-b]quinolin-1-one [ No CAS ]
  • 16
  • [ 136812-21-0 ]
  • [ 766-97-2 ]
  • 8-methyl-2-(p-tolylethynyl)quinoline-3-carbonitrile [ No CAS ]
 

Historical Records

Technical Information

Categories

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[ 136812-21-0 ]

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Related Parent Nucleus of
[ 136812-21-0 ]

Quinolines

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