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Chemical Structure| 1124-75-0
Chemical Structure| 1124-75-0
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CAS No. :1124-75-0 MDL No. :MFCD02683212
Formula : C6H5N3S Boiling Point : -
Linear Structure Formula :- InChI Key :HOMZHGIUBGGGEL-UHFFFAOYSA-N
M.W : 151.19 Pubchem ID :295777
Synonyms :

Safety of [ 1124-75-0 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P280-P305+P351+P338 UN#:N/A
Hazard Statements:H302 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 1124-75-0 ]

* 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.

  • Upstream synthesis route of [ 1124-75-0 ]
  • Downstream synthetic route of [ 1124-75-0 ]

[ 1124-75-0 ] Synthesis Path-Upstream   1~5

  • 1
  • [ 544-92-3 ]
  • [ 1122-74-3 ]
  • [ 1124-75-0 ]
YieldReaction ConditionsOperation in experiment
77% for 4 h; Heating / reflux A.mixture of compound from step 1 (7 g, 27.5 mmol) and copper cyanide (2.46 g, 27.5 mmol) in pyridine (150 mL) was heated at reflux for 4 hours. The reaction mixture was cooled to room temperature, concentrated, filtered, and washed with ether. The filtrate was washed with water, brine, dried (Na2S04), filtered, and concentrated. The residue was purified on silica gel using 10 percent ethyl acetate-hexane to afford the title compound (3.2 g, 77percent) as a white solid. MS (ES+) m/z 152 [M+H]+.
Reference: [1] Patent: WO2006/9889, 2006, A1, . Location in patent: Page/Page column 56
  • 2
  • [ 75833-38-4 ]
  • [ 5188-07-8 ]
  • [ 1124-75-0 ]
YieldReaction ConditionsOperation in experiment
66% for 2 h; Heating / reflux Reference Example 103
6-Cyano-2-methylthiopyrimidine
A mixture of 2-chloro-6-cyanopyrimidine (2.20 g, 15.8 mmol), sodium thiomethoxide (1.22 g, 17.3 mmol) and THF (100 ml) was refluxed for 2 hrs..
The reaction mixture was combined with ethyl acetate and water..
The organic layer was washed with saturated brine and dried over anhydrous magnesium sulfate..
The solvent was evaporated to give the titled compound (1.57 g, 66 percent) as pale yellow crystals.1H-NMR (CDCl3) δ: 2.58 (3H, s), 7.26(1H, d, J = 4.8 Hz), 8.70 (1H, d, J = 4.8 Hz). IR(KBr): 2241, 1554, 1537, 1396, 1348, 1197, 862 cm-1.
Reference: [1] Patent: EP1424336, 2004, A1, . Location in patent: Page 210
  • 3
  • [ 13435-20-6 ]
  • [ 6622-64-6 ]
  • [ 1124-75-0 ]
Reference: [1] Liebigs Annalen der Chemie, 1981, # 2, p. 333 - 341
  • 4
  • [ 1122-74-3 ]
  • [ 1124-75-0 ]
Reference: [1] ChemMedChem, 2016, vol. 11, # 22, p. 2522 - 2533
  • 5
  • [ 49844-90-8 ]
  • [ 1124-75-0 ]
Reference: [1] Liebigs Annalen der Chemie, 1981, # 2, p. 333 - 341
[2] ChemMedChem, 2016, vol. 11, # 22, p. 2522 - 2533
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