[ CAS No. 4922-98-9 ]

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2D
Chemical Structure| 4922-98-9
Chemical Structure| 4922-98-9
Structure of 4922-98-9

Quality Control of [ 4922-98-9 ]

Purity: {[proInfo.showProBatch.pb_purity]}

Related Doc. of [ 4922-98-9 ]

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Product Details of [ 4922-98-9 ]

CAS No. :4922-98-9MDL No. :MFCD00086332
Formula :C8H8N4Boiling Point :414.4°C at 760 mmHg
Linear Structure Formula :-InChI Key :-
M.W :160.18Pubchem ID :95778
Synonyms :

Computed Properties of [ 4922-98-9 ]

TPSA : 67.6 H-Bond Acceptor Count : 3
XLogP3 : - H-Bond Donor Count : 2
SP3 : 0.00 Rotatable Bond Count : 1

Safety of [ 4922-98-9 ]

Signal Word:WarningClassN/A
Precautionary Statements:P261-P280-P305+P351+P338UN#:N/A
Hazard Statements:H302-H315-H319-H332-H335Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 4922-98-9 ]

  • Upstream synthesis route of [ 4922-98-9 ]
  • Downstream synthetic route of [ 4922-98-9 ]

[ 4922-98-9 ] Synthesis Path-Upstream   1~5

  • 1
  • [ 3679-92-3 ]
  • [ 4922-98-9 ]
YieldReaction ConditionsOperation in experiment
70.1% at 110℃; for 6.00 h; The N-benzamido guanidine (4.76 g, 26.7 mmol) obtained in Step 3 - 1 was added to 40 mL of water and heated under reflux at 110 ° C. for 6 hours. After completion of the reaction, the reaction solution was distilled off under reduced pressure to obtain 3-phenyl-1H-1,2,4-triazole-5-amine (3.0 g, 18.7 mmol, yield 70.1percent)
Reference: [1] Patent: JP6099045, 2017, B2. Location in patent: Paragraph 0064
[2] Journal of Medicinal Chemistry, 1996, vol. 39, # 15, p. 3019 - 3029
[3] Bioorganic Chemistry, 2013, vol. 50, p. 34 - 40
[4] European Journal of Medicinal Chemistry, 2016, vol. 113, p. 11 - 27
[5] European Journal of Medicinal Chemistry, 2018, vol. 156, p. 774 - 789
  • 2
  • [ 3679-92-3 ]
  • [ 4922-98-9 ]
Reference: [1] Tetrahedron Letters, 2009, vol. 50, # 18, p. 2124 - 2128
[2] Heterocycles, 2007, vol. 71, # 2, p. 429 - 436
[3] Tetrahedron, 2007, vol. 63, # 52, p. 12888 - 12895
[4] European Journal of Medicinal Chemistry, 2013, vol. 67, p. 325 - 334
[5] Bioorganic Chemistry, 2018, vol. 80, p. 361 - 374
  • 3
  • [ 613-94-5 ]
  • [ 4922-98-9 ]
Reference: [1] Journal of Medicinal Chemistry, 1996, vol. 39, # 15, p. 3019 - 3029
[2] European Journal of Medicinal Chemistry, 2013, vol. 67, p. 325 - 334
[3] European Journal of Medicinal Chemistry, 2016, vol. 113, p. 11 - 27
[4] European Journal of Medicinal Chemistry, 2018, vol. 156, p. 774 - 789
  • 4
  • [ 98-88-4 ]
  • [ 4922-98-9 ]
Reference: [1] European Journal of Medicinal Chemistry, 2013, vol. 67, p. 325 - 334
[2] Patent: JP6099045, 2017, B2
[3] Bioorganic Chemistry, 2018, vol. 80, p. 361 - 374
  • 5
  • [ 65-85-0 ]
  • [ 4922-98-9 ]
Reference: [1] European Journal of Medicinal Chemistry, 2018, vol. 156, p. 774 - 789
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