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[ CAS No. 38240-21-0 ]

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2D
Chemical Structure| 38240-21-0
Chemical Structure| 38240-21-0
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Product Details of [ 38240-21-0 ]

CAS No. :38240-21-0MDL No. :MFCD09757485
Formula : C5H6N2S Boiling Point : 225.1°C at 760 mmHg
Linear Structure Formula :-InChI Key :-
M.W :126.18Pubchem ID :5463181
Synonyms :

Computed Properties of [ 38240-21-0 ]

TPSA : 70.1 H-Bond Acceptor Count : 2
XLogP3 : 0.3 H-Bond Donor Count : 2
SP3 : 0.00 Rotatable Bond Count : 0

Safety of [ 38240-21-0 ]

Signal Word:WarningClass:N/A
Precautionary Statements:P261-P305+P351+P338UN#:N/A
Hazard Statements:H302-H315-H319-H335Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 38240-21-0 ]

  • Upstream synthesis route of [ 38240-21-0 ]
  • Downstream synthetic route of [ 38240-21-0 ]

[ 38240-21-0 ] Synthesis Path-Upstream   1~6

  • 1
  • [ 6298-19-7 ]
  • [ 38240-21-0 ]
Reference: [1] Journal of Heterocyclic Chemistry, 1980, vol. 17, # 1, p. 149 - 153
  • 2
  • [ 6298-19-7 ]
  • [ 57-55-6 ]
  • [ 38240-21-0 ]
Reference: [1] Patent: US5814651, 1998, A,
  • 3
  • [ 273-84-7 ]
  • [ 38240-21-0 ]
Reference: [1] Journal of Medicinal Chemistry, 1991, vol. 34, # 1, p. 108 - 122
  • 4
  • [ 31784-70-0 ]
  • [ 38240-21-0 ]
Reference: [1] Yakugaku Zasshi, 1952, vol. 72, p. 1491[2] Chem.Abstr., 1953, p. 8069
  • 5
  • [ 38240-29-8 ]
  • [ 38240-21-0 ]
Reference: [1] Yakugaku Zasshi, 1958, vol. 78, p. 417,420[2] Chem.Abstr., 1958, p. 14622
  • 6
  • [ 38240-21-0 ]
  • [ 536-74-3 ]
  • [ 25797-03-9 ]
YieldReaction ConditionsOperation in experiment
68% With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; copper(I) thiophene-2-carboxylate; 1,3-bis-(diphenylphosphino)propane; triethylamine In tetrahydrofuran at 100℃; for 15 h; Inert atmosphere; Schlenk technique; Sealed tube General procedure: Pyridine-2-thione (0.1 mmol), CuTC (0.1 mmol), CuI (0.05mol),Pd(PPh3)2Cl2 (0.005mol), dppp (0.02 mmol), phenyl-acetylene (0.3 mmol), Et3N (3 mL) and THF (3 mL) were added to a 35 mL sealed tube and stirred at 100 °C for 15 h under argon atmosphere. The reaction mixture was then cooled to room temperature and then diluted with EtOAc (25 mL) and filtered through celite with EtOAc (50 mL). The crude products were purified by flash column chromatography on a silica gel column with petroleum ether/ethylacetate as the eluent to afford the corresponding purified products.
Reference: [1] Tetrahedron, 2017, vol. 73, # 37, p. 5485 - 5492
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