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[ CAS No. 669070-64-8 ]

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2D
Chemical Structure| 669070-64-8
Chemical Structure| 669070-64-8
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Product Details of [ 669070-64-8 ]

CAS No. :669070-64-8MDL No. :MFCD06245483
Formula :C13H9N3O2Boiling Point :-
Linear Structure Formula :-InChI Key :-
M.W :239.23Pubchem ID :513895
Synonyms :

Computed Properties of [ 669070-64-8 ]

TPSA : 78.9 H-Bond Acceptor Count : 4
XLogP3 : 1.6 H-Bond Donor Count : 2
SP3 : 0.00 Rotatable Bond Count : 2

Safety of [ 669070-64-8 ]

Signal Word:WarningClassN/A
Precautionary Statements:P305 P351 P338UN#:N/A
Hazard Statements:H319Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 669070-64-8 ]

  • Upstream synthesis route of [ 669070-64-8 ]
  • Downstream synthetic route of [ 669070-64-8 ]

[ 669070-64-8 ] Synthesis Path-Upstream   1~1

  • 1
  • [ 1121-60-4 ]
  • [ 619-05-6 ]
  • [ 669070-64-8 ]
YieldReaction ConditionsOperation in experiment
47% With copper(II) acetate monohydrate In ethanol; water at 100℃; for 2.00 h; To a mixture of 3,4-diaminobenzoic acid (0.6 g, 3.94 mmol, 1 equiv) in EtOH (6 mL) andsolution of cooper acetate monohydrate (0.86 g, 4.33 mmol, 1.1 equiv) in water (10 mL),2-pyridine carboxaldehyde (0.42 mL, 4.33 mmol, 1.1 equiv) was added. The resultingmixture was stirred for 2h at 100°C. Black precipitate was filtered off and dispersed inEtOH (4 mL). Then, Na2SxH2O (1 .7 g) was added and the mixture was stirred for 30mmat 100°C. The obtained solid was filtered off from hot solution and washed with hot wateron the filter. The filtrate was acidified with HOI (pH2) and then the resulted mixture washeating at 80°C till the removing of H25. The cooled mixture was filtered off, concentratedand recrystallized from EtOH. The obtained dihydrochloride product was mixed with an equivalent quantity of KOH in ethanol. The solid was filtered off and the filtrate was concentrated to give (8) (0.447 g, 47percent) as a brown solid
Reference: [1] Chemistry - A European Journal, 2018, vol. 24, # 13, p. 3289 - 3298
[2] Patent: WO2018/50771, 2018, A1. Location in patent: Page/Page column 25; 26
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