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Chemical Structure| 3739-94-4 Chemical Structure| 3739-94-4

Structure of 3739-94-4

Chemical Structure| 3739-94-4

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Product Details of [ 3739-94-4 ]

CAS No. :3739-94-4
Formula : C7H3Cl2NO2
M.W : 204.01
SMILES Code : O=C(C1=NC(C(Cl)=O)=CC=C1)Cl
MDL No. :MFCD00006289
InChI Key :GWHOGODUVLQCEB-UHFFFAOYSA-N
Pubchem ID :77335

Safety of [ 3739-94-4 ]

GHS Pictogram:
Signal Word:Danger
Hazard Statements:H314
Precautionary Statements:P280-P305+P351+P338-P310
Class:8
UN#:3261
Packing Group:

Application In Synthesis of [ 3739-94-4 ]

* 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 [ 3739-94-4 ]

[ 3739-94-4 ] Synthesis Path-Downstream   1~6

  • 1
  • [ 3739-94-4 ]
  • [ 78603-91-5 ]
  • N,N'-bis[1'-(S)-methyl-2',2'-diphenyl-2'-hydroxyethyl]-2,6-pyridinedicarboxamide [ No CAS ]
  • 2
  • [ 3739-94-4 ]
  • [ 40963-14-2 ]
  • (racemic)-pyridine-2,6-dicarboxylic acid bis-[(1-carbamoyl-1,2-dimethylpropyl)-amide] [ No CAS ]
  • (meso)-pyridine-2,6-dicarboxylic acid bis-[(1-carbamoyl-1,2-dimethylpropyl)-amide] [ No CAS ]
  • 4
  • [ 3739-94-4 ]
  • [ 24630-67-9 ]
  • [ 1208256-19-2 ]
  • 5
  • [ 3739-94-4 ]
  • [ 78603-91-5 ]
  • C37H35N3O4 [ No CAS ]
  • 6
  • [ 3739-94-4 ]
  • [ 1709-71-3 ]
  • bis[1-(acryloyloxy)-3-(methacryloyloxy)propan-2-yl] pyridine-2,6-dicarboxylate [ No CAS ]
YieldReaction ConditionsOperation in experiment
71% With triethylamine; In dichloromethane; at 0 - 20℃; for 16h;Schlenk technique; Inert atmosphere; To a solution of <strong>[1709-71-3]3-(acryloyloxy)-2-hydroxypropyl methacrylate</strong> (3g; AHM, 3.94 g, 8.98 mmol) and Et3N (2.6 mL, 1.9 g,18.9 mmol) in anhydrous CH2Cl2 (20 mL) was slowly added a solution of pyridine-2,6-dicarbonyl dichloride (1.83 g, 8.98 mmol) in anhydrous CH2Cl2 (20 mL) at 0 C. The slightly turbid mixture was stirred at r.t. for 16 h, filtered through Celite, and concentrated in vacuo under addition of MEHQ as polymerization inhibitor. The crude product was purified by flash chromatography (hexanes-EtOAc, 3:1 ? 2:1) to yield 8g (3.56 g, 6.36 mmol, 71%) as a clear colorless oil; Rf = 0.21 (hexanes-EtOAc, 2:1). FT-IR (ATR): 2931 (w), 2184 (w), 1962 (w), 1720 (s), 1293 (m),1236 (m), 1162 cm-1 (s). 1H NMR (300 MHz, CDCl3): delta = 1.93 (s, 6 H, CH3), 4.41-4.69 (m,8 H, OCH2), 5.59-5.62 (m, 2 H, cis-3?-H), 5.65-5.73 (m, 2 H,OCH), 5.85-5.91 (m, 2 H, cis-3??-H), 6.08-6.21 (m, 4 H, trans-3?-H,2??-H), 6.40-6.49 (m, 2 H, trans-3??-H), 7.99-8.04 (m, 1 H, 4-H),8.23-8.26 (m, 2 H, 3-H, 5-H). 13C NMR (75 MHz, CDCl3): delta = 18.2 (CH3), 62.4 (OCH2), 71.0(OCH), 126.6 (C-3?), 127.6 (C-2??), 128.2 (C-3, C-5), 131.9 (C-3??),135.6 (C-2?), 138.3 (C-4), 148.1 (C-2, C-6), 163.3 (Ar-C=O), 165.6(C-1??), 166.7 (C-1?). MS (ESI): m/z = 582.2 [M + Na]+, 560.2 [M + H]+, 197.1 [C10H13O4(AHM - OH)]+.HRMS (ESI): m/z calcd for C27H29NO12: 582.1582; found: 582.1586 [M + Na]+.
 

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