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[ CAS No. 369-53-9 ]

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2D
Chemical Structure| 369-53-9
Chemical Structure| 369-53-9
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Product Details of [ 369-53-9 ]

CAS No. :369-53-9MDL No. :MFCD06357911
Formula : C8H10N2O Boiling Point : 332.7°C at 760 mmHg
Linear Structure Formula :-InChI Key :-
M.W :150.18Pubchem ID :-
Synonyms :

Computed Properties of [ 369-53-9 ]

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

Safety of [ 369-53-9 ]

Signal Word:WarningClass:
Precautionary Statements:P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P330-P362-P403+P233-P501UN#:
Hazard Statements:H302-H312-H332Packing Group:
GHS Pictogram:

Application In Synthesis of [ 369-53-9 ]

  • Upstream synthesis route of [ 369-53-9 ]
  • Downstream synthetic route of [ 369-53-9 ]

[ 369-53-9 ] Synthesis Path-Upstream   1~1

  • 1
  • [ 401-95-6 ]
  • [ 369-53-9 ]
  • [ 1226-42-2 ]
  • [ 1054543-47-3 ]
YieldReaction ConditionsOperation in experiment
30% at 100℃; for 5 h; Example 1: Synthesis of 4-2-[3.5-bis(trifluoromethyl')phenyl]-4.5-bis[4-methoχphenyl*)imidazol- 1 -yl-methyl-benzamide f Apoptozole 1); <n="13"/>[64][65] To a stirred solution of ammonium acetate (0.6 g, 8.0 mmol) in acetic acid (5 mL) was added 3,5-bis(trifluoromethyl)benzaldehyde (0.3 μL, 1.7 mmol), 4.4'-dimethoxybenzil (0.5 g, 1.7 mmol) and 4-(aminomethyl)benzamide (0.2 g, 1.3 mmol) at 100 °C. After stirring for 5 h, the reaction mixture was diluted with CH Cl and washed with H 2 O and brine. The organic layer was dried over anhydrous MgSO 4 , filtered and concentrated under the reduced pressure. The crude product was purified by flash column chromatography (3:1 to 1:1 hexane/EtOAc) to give a pure product (0.4 mmol, 30 percent): 1K NMR (250 MHz, CD3OD) δ 8.82 (s,2 H), 8.67 (s, 2 H), 8.40 (d, 2 H, J = 10.0), 8.06 (d, 2 H, J = 8.8), 7.90 (d, 2 H, J = 8.1), 7.62-7.58 (m, 4 H), 7.45 (d, 2 H, J = 8.8), 5.91 (s, 2 H), 4.45 (s, 3 H), 4.40 (s, 3 H) 13C NMR (125 MHz, CD3OD) δ 171.6, 162.0, 160.5, 145.9, 142.4, 140.1, 134.5, 134.3, 133.7, 133.4, 133.2, 132.5, 130.4, 129.6, 129.4, 127.6, 127.2, 123.7, 123.1, 115.8, 114.8, 55.9, 55.8, 40.5 MALDI- TOF-MS calcd for C H F N O (M+Na)+ 648.18, found 648.18.
Reference: [1] Angewandte Chemie - International Edition, 2008, vol. 47, # 39, p. 7466 - 7469
[2] Patent: WO2008/105565, 2008, A1, . Location in patent: Page/Page column 11-12
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