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[ CAS No. 5372-81-6 ]

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2D
Chemical Structure| 5372-81-6
Chemical Structure| 5372-81-6
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Product Details of [ 5372-81-6 ]

CAS No. :5372-81-6MDL No. :MFCD00008427
Formula : C10H11NO4 Boiling Point : 345.6°C at 760 mmHg
Linear Structure Formula :-InChI Key :-
M.W :209.20Pubchem ID :-
Synonyms :

Computed Properties of [ 5372-81-6 ]

TPSA : - H-Bond Acceptor Count : -
XLogP3 : - H-Bond Donor Count : -
SP3 : - Rotatable Bond Count : -

Safety of [ 5372-81-6 ]

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 [ 5372-81-6 ]

  • Upstream synthesis route of [ 5372-81-6 ]
  • Downstream synthetic route of [ 5372-81-6 ]

[ 5372-81-6 ] Synthesis Path-Upstream   1~8

  • 1
  • [ 5372-81-6 ]
  • [ 4637-24-5 ]
  • [ 313535-84-1 ]
Reference: [1] Patent: US6348474, 2002, B1, . Location in patent: Page column 83
  • 2
  • [ 5372-81-6 ]
  • [ 77287-34-4 ]
  • [ 313535-84-1 ]
Reference: [1] Chemistry - A European Journal, 2016, vol. 22, # 1, p. 211 - 221
  • 3
  • [ 5372-81-6 ]
  • [ 10312-55-7 ]
Reference: [1] Journal of Medicinal Chemistry, 1981, vol. 24, # 6, p. 735 - 742
[2] Inorganic Chemistry, 2018, vol. 57, # 3, p. 1040 - 1047
  • 4
  • [ 5372-81-6 ]
  • [ 174074-89-6 ]
Reference: [1] Patent: WO2012/58671, 2012, A1,
  • 5
  • [ 60-35-5 ]
  • [ 5372-81-6 ]
  • [ 174074-88-5 ]
YieldReaction ConditionsOperation in experiment
80% at 200℃; for 3 h; Step 1: 2,4-Dioxo-l,2,3,4-tetrahydro-quinazoline-7-carboxylic acid methyl esterTo a 250 mL round bottom flask, 2-amino dimethyl terephthalate (3 g, 0.0143 mol) and urea (4.3 g, 0.0717 mol) were added. The reaction mixture was stirred at 200°C for 3 h. The reaction mixture was allowed to reach 100 °C and water was added. The aqueous reaction mixture was stirred at 100°C for 5-10 min then allowed to reach room temperature. The solid was filtered, washed with chloroform dried and azeotroped with toluene to afford the title compound [2.5 g, 80percent]. This material was taken to the next step without any further purification. 1H NMR; (400 MHz, DMSO-d6): δ 11.25 (brs, 2H), 7.98 (d, 1H, J= 8.2 Hz), 7.78 (s, 1H), 7.65 (d, J= 8.2, 1.2 Hz, 1H), 3.98 (s, 3H): LC-MS (ESI): Calculated mass: 220.0; Observed mass: 221.0 [M+H]+ (RT: 0.19 min)
Reference: [1] Patent: WO2012/58671, 2012, A1, . Location in patent: Page/Page column 112-113
  • 6
  • [ 5372-81-6 ]
  • [ 264276-14-4 ]
Reference: [1] Patent: WO2012/160464, 2012, A1,
[2] Journal of Medicinal Chemistry, 2013, vol. 56, # 11, p. 4521 - 4536
[3] Patent: US2014/155398, 2014, A1,
  • 7
  • [ 5372-81-6 ]
  • [ 1258298-05-3 ]
Reference: [1] Journal of Medicinal Chemistry, 2013, vol. 56, # 11, p. 4521 - 4536
  • 8
  • [ 5372-81-6 ]
  • [ 1415800-43-9 ]
Reference: [1] Patent: CN104072403, 2016, B,
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