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[ CAS No. 4318-76-7 ]

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Cat. No.: {[proInfo.prAm]}
2D
Chemical Structure| 4318-76-7
Chemical Structure| 4318-76-7
Structure of 4318-76-7 *Storage: {[proInfo.prStorage]}

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Product Details of [ 4318-76-7 ]

CAS No. :4318-76-7MDL No. :MFCD00129023
Formula : C5H7N3 Boiling Point : 329.1°C at 760 mmHg
Linear Structure Formula :-InChI Key :-
M.W :109.13Pubchem ID :-
Synonyms :

Computed Properties of [ 4318-76-7 ]

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

Safety of [ 4318-76-7 ]

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

Application In Synthesis of [ 4318-76-7 ]

  • Upstream synthesis route of [ 4318-76-7 ]
  • Downstream synthetic route of [ 4318-76-7 ]

[ 4318-76-7 ] Synthesis Path-Upstream   1~1

  • 1
  • [ 4318-76-7 ]
  • [ 56-81-5 ]
  • [ 17965-80-9 ]
YieldReaction ConditionsOperation in experiment
41% With sulfuric acid; sodium 3-nitrobenzenesulfonate In water at 135℃; for 16 h; b.
1,5-Naphthyridin-2-amine
A mixture of pyridine-2,5-diamine (5.2 g, 33.9 mmol), glycerol (15.6 g, 169.5 mmol), sodium 3-nitrobenzenesulphonate (15.2 g, 67.8 mmol), sulfuric acid (20 mL) and water (30 mL) was heated to 135° C. and stirred for 16 h.
The mixture was cooled to room temperature and then poured into ice/water (150 g).
The pH of the mixture was adjusted to ~9 with saturated aqueous NaOH solution.
Then the mixture was extracted with EtOAc (3*100 mL) and the combined organic layers were dried over anhydrous sodium sulfate and concentrated under reduce pressure to give the crude product, which was purified by silica gel column chromatography (eluting with DCM/MeOH v/v 20:1) to afford the product as a yellow solid (2.0 g, yield 41percent). ESI MS: m/z 146 [M+H]+. 1H NMR (400 MHz, DMSO-d6): δ 8.50 (dd, J=1.6 Hz, 4.4 Hz, 1H), 7.94 (d, J=8.8 Hz, 1H), 7.82-7.80 (m, 1H), 7.47 (dd, J=4.0 Hz, 8.4 Hz, 1H), 7.00 (d, J=9.2 Hz, 1H), 6.72 (s, 2H).
Reference: [1] Patent: US2012/178748, 2012, A1, . Location in patent: Page/Page column 47
[2] Yakugaku Zasshi, 1942, vol. 62, p. 257,265; dtsch. Ref. S. 66[3] Chem.Abstr., 1951, p. 2950
[4] Patent: WO2011/150156, 2011, A2, . Location in patent: Page/Page column 133
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