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[ CAS No. 65695-05-8 ]

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Chemical Structure| 65695-05-8
Chemical Structure| 65695-05-8
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Product Details of [ 65695-05-8 ]

CAS No. :65695-05-8 MDL No. :MFCD08689689
Formula : C9H10N2O3 Boiling Point : 381.5°C at 760 mmHg
Linear Structure Formula :- InChI Key :N/A
M.W :194.19 g/mol Pubchem ID :-
Synonyms :

Safety of [ 65695-05-8 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P280-P305+P351+P338-P310 UN#:N/A
Hazard Statements:H302-H315-H319-H332-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 65695-05-8 ]

  • Upstream synthesis route of [ 65695-05-8 ]
  • Downstream synthetic route of [ 65695-05-8 ]

[ 65695-05-8 ] Synthesis Path-Upstream   1~2

  • 1
  • [ 1129-35-7 ]
  • [ 65695-05-8 ]
YieldReaction ConditionsOperation in experiment
93% With hydroxylamine In methanol; tert-butyl methyl ether; water at 20 - 25℃; for 12.5 h; Large scale A solution of methyl 4-cyanobenzoate (III) (2.50 kg, 1 wt) in methanol (7.5 L, 3 vol) was diluted with methyl tert.-butyl ether (9.3 kg, 3.7 wt). Aqueous hydroxylamine (50percent solution; 1 .23 kg, 0.5 wt, 1.2 eq.) was dosed over approximately 0.5 hours at 20-25°C. The dosing lines were rinsed with methanol (1 kg, 0.4 wt) and the reaction allowed to proceed for approximately 12 hours at 20-25°C. The batch was cooled to 5 ± 5°C and aged at 5 ± 5°C for 3 hours. The product, methyl 4-(N'-hydroxycarbamimidoyl)benzoate (IV), was isolated by filtration, washed with methyl tert.-butyl ether (2 x 5.5 kg, 2 x 2.2 wt), and dried under a flow of nitrogen at ambient for approximately 4 hours (2.38 kg, 93percent).
Reference: [1] Patent: WO2017/220446, 2017, A1, . Location in patent: Page/Page column 26
[2] Journal of Labelled Compounds and Radiopharmaceuticals, 2012, vol. 55, # 2, p. 71 - 79
[3] Organic Letters, 2017, vol. 19, # 11, p. 2885 - 2888
  • 2
  • [ 1443-80-7 ]
  • [ 65695-05-8 ]
Reference: [1] Patent: US2003/45546, 2003, A1,
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