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Chemical Structure| 75861-69-7 Chemical Structure| 75861-69-7

Structure of 75861-69-7

Chemical Structure| 75861-69-7

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Product Details of [ 75861-69-7 ]

CAS No. :75861-69-7
Formula : C10H7NOS
M.W : 189.23
SMILES Code : O=C(N=C=S)/C=C/C1=CC=CC=C1
MDL No. :MFCD00046813

Safety of [ 75861-69-7 ]

GHS Pictogram:
Signal Word:Danger
Hazard Statements:H315-H317-H319-H330-H334-H335-H351-H412
Precautionary Statements:P201-P202-P260-P264-P271-P272-P273-P280-P284-P302+P352-P304+P340+P310-P305+P351+P338-P308+P313-P333+P313-P337+P313-P403+P233-P405-P501
Class:6.1
UN#:2811
Packing Group:

Application In Synthesis of [ 75861-69-7 ]

* 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 [ 75861-69-7 ]

[ 75861-69-7 ] Synthesis Path-Downstream   1~3

  • 3
  • [ 75861-69-7 ]
  • [ 494-52-0 ]
  • 3-phenyl-N-(anabasinocarbonothioyl)acrylamide [ No CAS ]
YieldReaction ConditionsOperation in experiment
80.4% In acetone; at 30℃; for 1.0h; A solution of 2.07 g (0.011 mol) of cinnamoyl thiocyanate in 10 mL of acetone was added dropwise at vigorous stirring to a solution of 1.62 g (0.01 mol) of anabasine in 5 mL of acetone. The mixture was stirred during 1 h at 30C. The reaction progress was monitored by TLC. After the reaction was complete, the mixture was cooled; fine precipitate was filtered off, washed with small amount of diethyl ether, and recrystallized from isopropanol. Yield 2.82 g (80.4%), white powder, mp 150-151C. 1H NMR spectrum, delta, ppm (J, Hz): 0.99-1.00m (1H, H10ax), 1.31-1.34 m (1H, H11ax), 1.44-1.65 m (2H, H10eq,11eq), 1.88-2.00 m (1H, H12), 2.52-2.55 m (1H, H12eq), 3.00-3.05 m (1H, H9ax), 3.73-3.87 m (1H, H9eq), 6.72 br. s (1H, H7), 6.87 d (1H, H18, 3J = 16.0), 7.39 br. s (4H, H5,22-24), 7.58 d (2H, H21,25, 3J = 6.4), 7.65 d (1H, H19, 3J = 15.6), 7.86 br. s (1H, H4), 8.47 d (1H, H6, 3J = 4.1), 8.66 br. s (1H, H2), 10.85 br. s (1H, H15). 13C NMR spectrum, delta, ppm: 18.99 (C11), 26.02 (C10), 27.49 (C12), 48.27 (C9), 59.00 (C7), 120.80 (C18), 124.11 (C5), 128.49 (C21,25), 129.60 (C22,24), 130.83 (C23), 133.35 (C20), 134.89 (C4), 134.93 (C3), 143.27 (C19), 148.52 (C2), 148.65 (C6), 162.64 (C16), 181.61 (C13). 1H-13C NMR spectrum HMQC, ppm: H10ax/C10 1.00/26.67, H11ax/C11 1.28/19.67, H11eq/C11 1.55/19.70, H10eq/C10 1.55/26.80, H12ax/C12 1.90/28.20, H12eq/C12 2.57/28.11, H9ax/C9 3.03/48.86, H9eq/C9 3.91/48.87, H7/C7 6.74/59.48, H18/C18 6.90/121.09, H5/C5 7.39/124.50, H22-24/C22-24 7.40/130.11, H21,25/C21,25 7.58/128.91, H4/C4 7.87/135.37, H19/C19 7.68/143.50, H6/C6 8.47/148.93, H2/C2 8.54/148.93.
 

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