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Chemical Structure| 17452-27-6 Chemical Structure| 17452-27-6

Structure of 17452-27-6

Chemical Structure| 17452-27-6

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Product Details of [ 17452-27-6 ]

CAS No. :17452-27-6
Formula : C6H4N2S
M.W : 136.17
SMILES Code : S=C=NC1=CC=CN=C1
MDL No. :MFCD00052351
InChI Key :VMSZFBSYWXMXRF-UHFFFAOYSA-N
Pubchem ID :2737242

Safety of [ 17452-27-6 ]

GHS Pictogram:
Signal Word:Danger
Hazard Statements:H301-H314
Precautionary Statements:P280-P301+P310-P305+P351+P338-P310
Class:6.1(8)
UN#:2927
Packing Group:

Application In Synthesis of [ 17452-27-6 ]

* 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 [ 17452-27-6 ]

[ 17452-27-6 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 17452-27-6 ]
  • [ 120-35-4 ]
  • 4-Methoxy-N-phenyl-3-(3-pyridin-3-yl-thioureido)-benzamide [ No CAS ]
YieldReaction ConditionsOperation in experiment
In ethyl acetate; Example 81 4-Methoxy-N-phenyl-3-(3-pyridin-3-yl-thioureido)-benzamide Prepared according to the procedure described for Example 60 using 3-amino-4-methoxy-N-phenyl-benzamide (0.972 g, 4.00 mmol) and 3-pyridyl isothiocyanate (0.565 g, 4.15 mmol). Trituration in hexanes/ethyl acetate (3:2) gave the product (1.441 g); m.p. 178-179 C. Calculated for C20H18N4O2S: C, 63.47; H, 4.79; N, 14.80. Found: C, 62.88; H, 4.78; N, 14.65.
  • 2
  • [ 17452-27-6 ]
  • [ 7579-20-6 ]
  • [ 1357082-33-7 ]
YieldReaction ConditionsOperation in experiment
69% In 1,2-dimethoxyethane; at 150℃; for 0.5h;Microwave irradiation; Sealed vial; A mixture of 3-aminoisonicotinic acid (100 mg, 0.72 mmol) and 3-isothiocyanatopyridine (128 mg, 0.94 mmol) in 1,2-dimethoxyethane (3 mL) was heated under microwave irradiation (30 min, 150 °C). After cooling down the reaction in an ice/salt bath, a yellow precipitate was formed. The solid was filtered, washed with diethylether and dried, affording 21 as a pure product (yield 69percent). Mp 341 °C; 1H NMR (300 MHz, DMSO-d6) delta (ppm): 13.37 (bs, 1H, NH), 8.83 (s, 1H, H-8), 8.59 (dd, J = 4.5, 1.2 Hz, 1H, H-4'), 8.52 (d, J = 5.1 Hz, 1H, H-6), 8.48 (d, J = 2.4 Hz, 1H, H-2'), 7.82 (d, J = 5.1 Hz, 1H, H-5), 7.77 (dt, J = 8.1, 1.8 Hz, 1H, H-6'), 7.54 (dd, J = 7.8, 4.8 Hz, 1H, H-5'); 13C NMR (75 MHz, DMSO-d6) delta (ppm): 176.7, 159.1, 149.5, 149.0, 144.3, 139.0, 136.7, 135.7, 134.7, 123.9, 121.6, 119.2; ESI MS (m/z): 257 [M + H]+, purity >99percent (by HPLC); Anal. C12H8N4OS (C, H, N, O).
 

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