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Chemical Structure| 59473-45-9 Chemical Structure| 59473-45-9

Structure of 59473-45-9

Chemical Structure| 59473-45-9

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Product Details of [ 59473-45-9 ]

CAS No. :59473-45-9
Formula : C7H6ClI
M.W : 252.48
SMILES Code : ClCC1=C(I)C=CC=C1
MDL No. :MFCD00000898

Safety of [ 59473-45-9 ]

GHS Pictogram:
Signal Word:Danger
Hazard Statements:H314-H335
Precautionary Statements:P261-P280-P305+P351+P338-P310
Class:8
UN#:3261
Packing Group:

Application In Synthesis of [ 59473-45-9 ]

* 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 [ 59473-45-9 ]

[ 59473-45-9 ] Synthesis Path-Downstream   1~3

  • 1
  • [ 59473-45-9 ]
  • [ 7334-51-2 ]
  • [ 27686-42-6 ]
  • [ 222312-71-2 ]
  • threo-2,3-bis(2-iodobenzyl-N,N,N',N'-tetramethylbutanediamide) [ No CAS ]
  • 2
  • [ 59473-45-9 ]
  • [ 7334-51-2 ]
  • 3-(N,N-dimethylcarboxamido)-4-(2-iodophenyl)butanamide [ No CAS ]
  • [ 222312-71-2 ]
  • 3
  • [ 38695-60-2 ]
  • [ 59473-45-9 ]
  • 2-(2-iodophenyl)ethyl thienylsulfone [ No CAS ]
YieldReaction ConditionsOperation in experiment
30% A solution of methyl thienyl sulfone (1.00 g, 6.16 mmol) in THF (14 mL) was added dropwise to a stirred suspension of NaH (0.2 g of a 80% dispersion in oil, 6.8 mmol) inTHF (1 mL) at room temperature. After 30 min, a solution of 2-iodobenzyl chloride (1.56 g, 6.16 mmol) in THF (15 mL) was added and the resulting mixture stirred for 48 h. The reaction mixture was heated at reflux for 48 h more. After cooling, the reaction mixture was poured into water and extracted with ether (3 x 25 mL). The combined organic extract was washed with brine, dried (MgSO4) and concentrated. Purification of the residue by chromatography (petrol / ether, 6:4 to 4:6) gave, in order of elution, 2-(2-iodophenyl)ethyl thienylsulfone, 99, (0.71 g, 30%) as colourless needles. (mp 99-101C, CH2Cl2/petrol). Found C 38.2, H 2.9. C12H11IO2S2 requires C 38.1, H 2.9%. νmax (NaCl/film)/cm-1 3090, 1564, 1468, 1442, 1402, 1317, 1229, 1137, 1093, 1014, 856, 749; δH(400 MHz): 3.18 (2 H, m, CH2Ar), 3.45 (2 H, m, CH2S), 6.92 (1 H, dt, J 7.8 and 1.9, H-4), 7.19 (1 H, dd, J 4.8 and 3.8, H-4'), 7.22 (1 H, dd, J 7.8 and 1.9, H-6), 7.28 (1H, dt, J 7.5 and 1.4, H-5), 7.76 (1 H, dd, J 5.1 and 1.4, H-5'), 7.77 (1 H, dd, J 7.8 and 1.4, H-3), 7.78 (1 H, dd, J 3.8 and 1.3, H-3'); δC (100.6 MHz): 34.7 (CH2), 57.1 (CH2S), 99.8 (C), 128.0 (CH), 128.9 (CH), 129.0 (CH), 129.9 (CH), 134.3 (CH), 134.6 (CH), 139.6 (C), 139.8 (CH), 139.9 (C); m/z: 378 (M+, 1), 251 (41), 231 (20), 230 (100), 131 (18), 104 (60), 103 (70), 102 819), 78 (31), 77 (70); and starting methyl thienyl sulfone (0.49 g, 49%).
 

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