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Chemical Structure| 839712-09-3 Chemical Structure| 839712-09-3

Structure of 839712-09-3

Chemical Structure| 839712-09-3

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Product Details of [ 839712-09-3 ]

CAS No. :839712-09-3
Formula : C11H15Cl3N2
M.W : 281.61
SMILES Code : ClC1=C(Cl)C(N2CCNCCC2)=CC=C1.[H]Cl
MDL No. :MFCD25967655
InChI Key :UCHZHYQSYVASBA-UHFFFAOYSA-N
Pubchem ID :66634061

Safety of [ 839712-09-3 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H315-H319-H335
Precautionary Statements:P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501

Application In Synthesis of [ 839712-09-3 ]

* 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 [ 839712-09-3 ]

[ 839712-09-3 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 839712-09-3 ]
  • [ 129722-34-5 ]
  • [ 1354030-14-0 ]
YieldReaction ConditionsOperation in experiment
41% Compound 2:[0119] A mixture of intermediate 4 (156 mg, 0.52 mmol) and Nal (120 mg, 0.8 mmol) in CH3CN was heated to reflux for 30 min and then cooled to rt. Intermediate 2 (119 mg, 0.4 mmol) and anhydrous K2C03 (189 mg, 1.37 mmol) were then added to the mixture. The resulting mixture was heated to reflux for 4 h. Precipitated crystals were filtered off and the filtrate was evaporated under reduced pressure. The residue was extracted with EtOAc. The combined EtOAc layers were washed with brine, dried over anhydrous Na2S04, concentrated in vacuo and purified by flash chromatography on silica gel column (elution with DCM/MeOH = 30:1) to give 7-(4-(4-(2,3-dichlorophenyl)-l ,4-diazepan-l-yl)butoxy)-3,4-dihydroquinolin-2(lH)-one(compound 2) (75 mg, 41percent). 3/4 NMR (300 MHz, CDC13): delta 8.08 (s, 1H), 7.10-6.99 (m, 4H), 6.52 (dd, J = 6.6 Hz, 2.1 Hz, 1H), 6.33 (s, 1H), 3.96 (t, J= 6.0 Hz, 2H), 3.31 -3.27 (m, 4H), 2.92- 2.84 (m, 6H), 2.64-2.60 (m, 4H), 2.02-1.98 (m, 2H), 1.84-1.70 (m, 4H). HPLC: 99percent, RT 2.435 min. MS (ESI) m/z 462.2 [M + H]+. mp: 88-89°C.
  • 2
  • [ 839712-09-3 ]
  • [ 129722-34-5 ]
  • [ 1392645-35-0 ]
 

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