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Chemical Structure| 7409-30-5 Chemical Structure| 7409-30-5

Structure of 7409-30-5

Chemical Structure| 7409-30-5

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Product Details of [ 7409-30-5 ]

CAS No. :7409-30-5
Formula : C7H8N2O2
M.W : 152.15
SMILES Code : NCC1=CC=C(C=C1)[N+]([O-])=O
MDL No. :MFCD03411004
InChI Key :ODVBBZFQPGORMJ-UHFFFAOYSA-N
Pubchem ID :29147

Safety of [ 7409-30-5 ]

GHS Pictogram:
Signal Word:Danger
Hazard Statements:H302-H314
Precautionary Statements:P260-P264-P270-P280-P301+P312-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P310-P321-P363-P405-P501
Class:8
UN#:3259
Packing Group:

Application In Synthesis of [ 7409-30-5 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Downstream synthetic route of [ 7409-30-5 ]

[ 7409-30-5 ] Synthesis Path-Downstream   1~6

  • 1
  • [ 7409-30-5 ]
  • [ 71989-35-0 ]
  • [ 135112-28-6 ]
  • [ 125238-99-5 ]
  • benzoic anhydride [ No CAS ]
  • Bz-Dab-Nva-Thr-NH-CH2PhNO2 [ No CAS ]
  • 2
  • [ 85426-79-5 ]
  • [ 7409-30-5 ]
  • [ 594865-03-9 ]
  • 3
  • [ 107-10-8 ]
  • [ 75-44-5 ]
  • [ 7409-30-5 ]
  • [ 63289-53-2 ]
  • [ 301225-58-1 ]
  • [ 301232-35-9 ]
YieldReaction ConditionsOperation in experiment
With trifluoroacetic acid; In dichloromethane; Step A 4-(N-(N-(4-Nitrobenzyl)carbamoyl)-N-(prop-1-yl)amino)-piperidinetrifluoroacetate The title compound was prepared by the reaction of <strong>[301225-58-1]4-(N-(prop-1-yl)amino)-1-tert-butoxycarbonylpiperidine</strong> (prepared by the method described in Example 1, Step A, using 1-propylamine in place of methylamine) with (4-nitrobenzyl)isocyanate (prepared from phosgene and (4-nitrobenzyl)amine), followed by treatment of the product with 50% TFA in CH2Cl2 to remove the tert-butoxycarbonyl group, affording the title compound. ESI-MS: 321.2 (M+H).
  • 4
  • [ 7409-30-5 ]
  • [ 107819-90-9 ]
  • [ 307301-44-6 ]
YieldReaction ConditionsOperation in experiment
With sodium chloride; In tetrahydrofuran; di-isopropyl ether; ethyl acetate; Reference Example 87 A solution of 4-nitrobenzylamine (5.24 g, 34.4 mmol) and S-methyl-N,N'-bis(tert-butoxycarbonyl)isothiourea (5.00 g, 17.2 mmol) in THF (60 ml) was stirred at 55° C. for 9 hours and at room temperature for 11 hours. The reaction mixture was concentrated under reduced pressure, was then mixed with ethyl acetate (150 ml) and was washed with 1 N hydrochloric acid (30 ml*3) and an aqueous saturated solution of sodium chloride (30 ml) in the order. The organic layer was dried with anhydrous magnesium sulfate and was then concentrated under reduced pressure, and the residue was subjected to column chromatography (silica gel, 150 g: ethyl acetate/hexane 1/9-->1/6). The objective fractions were concentrated under reduced pressure, diisopropyl ether was added to the residue and an insoluble material was collected by filtration. The insoluble material was washed with diisopropyl ether and was then dried under reduced pressure to obtain N-(4-nitrobenzyl)-N',N"-bis(tert-butoxycarbonyl)guanidine (5.67 g, 14.4 mmol, 83percent) IR (KBr): 1723, 1644, 1620, 1570, 1524 cm-1. 1H-NMR (CDCl3) delta: 1.50 (18H, s), 4.7-4.8 (2H, m), 7.48 (2H, d, J=8.5 Hz), 8.21 (2H, d, J=8.5 Hz).
  • 5
  • [ 7409-30-5 ]
  • [ 30780-19-9 ]
 

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