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Chemical Structure| 2067-80-3 Chemical Structure| 2067-80-3

Structure of Urea-15N2
CAS No.: 2067-80-3

Chemical Structure| 2067-80-3

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Synonyms: Carbamide-15N2; Carbonyldiamide-15N2

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Product Details of [ 2067-80-3 ]

CAS No. :2067-80-3
Formula : CH4(15N)2O
M.W : 62.04
SMILES Code : [15NH2]C([15NH2])=O
Synonyms :
Carbamide-15N2; Carbonyldiamide-15N2
MDL No. :MFCD00064399

Safety of [ 2067-80-3 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H315-H319
Precautionary Statements:P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313

Application In Synthesis of [ 2067-80-3 ]

* 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 [ 2067-80-3 ]

[ 2067-80-3 ] Synthesis Path-Downstream   1~4

  • 1
  • [ 110-86-1 ]
  • [ 32703-79-0 ]
  • [ 2067-80-3 ]
  • iron(II) chloride [ No CAS ]
  • bispyridine-2,10,16,24-tetra(tert-butyl)(<SUP>15</SUP>N<SUB>8</SUB>)phthalocyaninatoiron(II) [ No CAS ]
  • bispyridine-2,9,16,23-tetra(tert-butyl)(<SUP>15</SUP>N<SUB>8</SUB>)phthalocyaninatoiron(II) [ No CAS ]
  • bispyridine-2,9,17,24-tetra(tert-butyl)(<SUP>15</SUP>N<SUB>8</SUB>)phthalocyaninatoiron(II) [ No CAS ]
  • bispyridine-2,9,16,24-tetra(tert-butyl)(<SUP>15</SUP>N<SUB>8</SUB>)phthalocyaninatoiron(II) [ No CAS ]
YieldReaction ConditionsOperation in experiment
A mixture of 15N labeled tetra-tertbutyl-phthalocyanine (8) (20 mg, 0.027 mmol) and anhydrous FeCl2 (10mg 0.08 mmol) was refluxed in distilled and dry pyridine for 6 h under nitrogen. After the reaction mixture was cooled to room temperature, it was poured into water and then the precipitate was filtered and dried under reduced pressure. The crude product was puried by column chromatography (silica gel, ethyl acetate/hexane,1/3). The product was obtained as a blue solid. Yield: MS: 19 mg, 74%, 1H NMR (500 MHz, CDCl3) 9.36 (4H, m, Pc-H), 9.24 (4H, m, Pc-H), 8.04 (4H,m, Pc-H), 5.83 (2H, t, py- -H, J = 7.49), 4.59 (4H, t, Py- -H, J = 7.1), 2.15 (4H, d, Py-alpha-H, J = 5.5),1.77 (36H, m, C-(CH3)3) . m=z 800.207 [M-2Py]+, 817.258 [M-2Py+OH]+.
  • 2
  • [ 32703-79-0 ]
  • [ 2067-80-3 ]
  • [ 7646-85-7 ]
  • 2,10,16,24-tetra(tert-butyl)(<SUP>15</SUP>N<SUB>8</SUB>)phthalocyaninatozinc(II) [ No CAS ]
  • 2,9,16,23-tetra(tert-butyl)(<SUP>15</SUP>N<SUB>8</SUB>)phthalocyaninatozinc(II) [ No CAS ]
  • 2,9,17,24-tetra(tert-butyl)(<SUP>15</SUP>N<SUB>8</SUB>)phthalocyaninatozinc(II) [ No CAS ]
  • 2,9,16,24-tetra(tert-butyl)(<SUP>15</SUP>N<SUB>8</SUB>)phthalocyaninatozinc(II) [ No CAS ]
YieldReaction ConditionsOperation in experiment
With ammonium molybdate; at 20 - 220℃; for 4h; General procedure: 4-tert-Butylphthalic anhydride (5) (1 eq), urea-15N2 (4 eq), metal salt (0.3 eq) (ZnCl2 or NiCl2) , and 5% of the stoichiometric amount of ammonium molybdate were suspended in 1-chloronaphthalene and the temperature was slowly raised to 220 C over 2 h. The reaction mixture was stirred for 2 h at this temperature. After the reaction mixture was cooled to room temperature, it was diluted with petroleum ether and filtered. The filtrate was dried under vacuum. The products were puried with column chromatography using silica gel and an ethylacetate/hexane (1/3) mixture and obtained as a mixture of four constitutional isomers. Both products were obtained as blue solids.
  • 3
  • [ 32703-79-0 ]
  • [ 2067-80-3 ]
  • 2,10,16,24-tetra(tert-butyl)(<SUP>15</SUP>N<SUB>8</SUB>)phthalocyanine [ No CAS ]
  • 2,9,16,23-tetra(tert-butyl)(<SUP>15</SUP>N<SUB>8</SUB>)phthalocyanine [ No CAS ]
  • 2,9,17,24-tetra(tert-butyl)(<SUP>15</SUP>N<SUB>8</SUB>)phthalocyanine [ No CAS ]
  • 2,9,16,24-tetra(tert-butyl)(<SUP>15</SUP>N<SUB>8</SUB>)phthalocyanine [ No CAS ]
YieldReaction ConditionsOperation in experiment
Zinc phthalocyanine (6) (40 mg, 0.05 mmol) and pyridine.HCl (1 g, 8.7 mmol) were dissolved in 5 mL of pyridine and the mixture was refluxed under N2 for 16 h. After the reaction mixture was cooled to room temperature, 10 mL of water was added and the product was precipitated. The precipitate was washed first with water and then with methanol. After drying in vacuo the product was puried by column chromatography on silica gel by using ethyl acetate/hexane (1/3) eluent. The product was obtained as a dark blue solid. Yield 74%, FTIR ( , cm1) : 3283, 3071, 2956, 2907, 2866, 1617, 1485, 1258, 1089, 1000, 827, 741.1H NMR (500 MHz, CDCl3) : , ppm 9.14{8.62 (8H, m, Pc-H), 8.17{8.04 (4H, m, Pc-H), 1.94{1.89 (36H, m,C-(CH3)3) , {2.67{ {3.46 (2H, m, N-H), MS: m/z 747.079 [M+H]+.
  • 4
  • [ 32703-79-0 ]
  • [ 2067-80-3 ]
  • nickel dichloride [ No CAS ]
  • 2,9,16,23-tetra(tert-butyl)(<SUP>15</SUP>N<SUB>8</SUB>)phthalocyaninatonickel(II) [ No CAS ]
  • 2,10,16,24-tetra(tert-butyl)(<SUP>15</SUP>N<SUB>8</SUB>)phthalocyaninatonickel(II) [ No CAS ]
  • 2,9,17,24-tetra(tert-butyl)(<SUP>15</SUP>N<SUB>8</SUB>)phthalocyaninatonickel(II) [ No CAS ]
  • 2,9,16,24-tetra(tert-butyl)(<SUP>15</SUP>N<SUB>8</SUB>)phthalocyaninatonickel(II) [ No CAS ]
YieldReaction ConditionsOperation in experiment
With ammonium molybdate; at 20 - 220℃; for 4h; General procedure: 4-tert-Butylphthalic anhydride (5) (1 eq), urea-15N2 (4 eq), metal salt (0.3 eq) (ZnCl2 or NiCl2) , and 5% of the stoichiometric amount of ammonium molybdate were suspended in 1-chloronaphthalene and the temperature was slowly raised to 220 C over 2 h. The reaction mixture was stirred for 2 h at this temperature. After the reaction mixture was cooled to room temperature, it was diluted with petroleum ether and filtered. The filtrate was dried under vacuum. The products were puried with column chromatography using silica gel and an ethylacetate/hexane (1/3) mixture and obtained as a mixture of four constitutional isomers. Both products were obtained as blue solids.
 

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