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Type HazMat fee for 500 gram (Estimated)
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Inaccessible (Haz class 6.1), International USD 150+
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Chemical Structure| 4411-25-0 Chemical Structure| 4411-25-0

Structure of 4411-25-0

Chemical Structure| 4411-25-0

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Product Details of [ 4411-25-0 ]

CAS No. :4411-25-0
Formula : C11H15NO
M.W : 177.24
SMILES Code : O=C=NC12CC3CC(C2)CC(C3)C1
MDL No. :MFCD00134405
InChI Key :VBHCPGFCIQDXGZ-UHFFFAOYSA-N
Pubchem ID :2059995

Safety of [ 4411-25-0 ]

GHS Pictogram:
Signal Word:Danger
Hazard Statements:H330-H302+H312-H315-H319-H334-H335
Precautionary Statements:P501-P260-P270-P240-P233-P243-P241-P242-P271-P264-P280-P284-P370+P378-P342+P311-P337+P313-P305+P351+P338-P303+P361+P353-P332+P313-P362-P301+P312+P330-P304+P340+P310-P403+P233-P403+P235-P405
Class:6.1
UN#:2206
Packing Group:

Application In Synthesis of [ 4411-25-0 ]

* 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 [ 4411-25-0 ]

[ 4411-25-0 ] Synthesis Path-Downstream   1~5

  • 1
  • [ 67107-87-3 ]
  • [ 4411-25-0 ]
  • [ 860622-77-1 ]
YieldReaction ConditionsOperation in experiment
In dichloromethane; 12-aminododecanaol (50 mg) was stirred in dichloromethane with 1- adamantylisocyanate (44mg) overnight. The reaction was evaporated and EPO <DP n="69"/>carbonyldiimidazole was added in 2 mL acetonitrile. This was refluxed 5 hrs. The solvent was removed in vacuo and the solid was partitioned between dichloromethane and water. The organic layer was washed repeatedly with water to yield the target compound (22mg). 1H NMR (300 MHz, CDCl3) delta = 8.17 (s, IH), 7.45 (s, IH), 7.05 (s, IH), 4.41 (t, J = 7.5 Hz, 2H)5 4.32 (br, IH), 4.21 (br, IH), 3.08 (q, J = 6.7 Hz, 2 H), 2.0 - 1.0 (m, 35H).
  • 2
  • [ 35418-07-6 ]
  • [ 4411-25-0 ]
  • [ 1151934-78-9 ]
  • 3
  • [ 4411-25-0 ]
  • [ 20637-09-6 ]
  • [ 1151934-79-0 ]
  • 4
  • [ 4411-25-0 ]
  • [ 108655-63-6 ]
  • C15H18F3N3O2 [ No CAS ]
YieldReaction ConditionsOperation in experiment
22.8% General procedure: Heteroarylamine (1.0 mmol) was added to THF (20 mL) and cooled on a dry ice in acetone bath. To that, butyllithium (400 muL, 1.0 mmol, 2.5 M in hexane) was added dropwise over 20 min. The reaction mixture was removed from the dry ice in acetone bath and 1-adamantyl isocyanate (177 mg, 1.0 mmol) was added and stirred for 1 h. Methanol (4 mL) was then added to quench any unreacted butyllithium. The solvents were then removed under reduced pressure and the residue was purified by normal phase flash column chromatography using a hexane to ethyl acetate gradient.
  • 5
  • [ 4411-25-0 ]
  • [ 110223-15-9 ]
  • 1-(3-(benzyloxy)pyrazin-2-yl)-3-(adamantane-1-yl)urea [ No CAS ]
YieldReaction ConditionsOperation in experiment
26.6% With sodium hydride; In tetrahydrofuran; mineral oil; for 20h;Reflux; 3-(benzyloxy)pyridin-2-amine (100 mg, 0.50 mmol) and sodium hydride (60% in mineral oil, 22 mg, 0.55 mmol) was dissolved in tetrahydrofuran (0.25M) and then 1-adamantyl isocyanate (106 mg, 0.6 mmol) was added dropwise and heating at reflux for 20 hours. After the reaction was cooled to room temperature, water was added to terminate the reaction, and extracted with ethyl acetate, drying the extracted solution over sodium sulfate, it was filtered and concentrated under reduced pressure. By separation and purification of the residue by column chromatography (ethyl acetate / n-hexane = 1/2) to give the title compound 50 mg at a yield of 26.6%.
 

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