Home Cart 0 Sign in  

[ CAS No. 58069-82-2 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 58069-82-2
Chemical Structure| 58069-82-2
Structure of 58069-82-2 * Storage: {[proInfo.prStorage]}
Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Quality Control of [ 58069-82-2 ]

Related Doc. of [ 58069-82-2 ]

Alternatived Products of [ 58069-82-2 ]

Product Details of [ 58069-82-2 ]

CAS No. :58069-82-2 MDL No. :MFCD00064398
Formula : 13CH4N2O Boiling Point : -
Linear Structure Formula :- InChI Key :XSQUKJJJFZCRTK-OUBTZVSYSA-N
M.W : 61.05 Pubchem ID :636363
Synonyms :

Safety of [ 58069-82-2 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P280-P301+P312-P302+P352-P305+P351+P338 UN#:N/A
Hazard Statements:H302-H315-H319-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 58069-82-2 ]

* 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 [ 58069-82-2 ]

[ 58069-82-2 ] Synthesis Path-Downstream   1~23

  • 1
  • [ 3240-72-0 ]
  • [ 58069-82-2 ]
  • [ 139290-36-1 ]
  • 3
  • [ 58069-82-2 ]
  • [ 80-48-8 ]
  • [ 88597-10-8 ]
YieldReaction ConditionsOperation in experiment
60% Heating;
1.) 100 deg C, 5 h; 2.) acetone, RT, 1 h; Yield given. Multistep reaction;
  • 4
  • <13CO>-N-methyl-N-nitrosourea (MNU) [ No CAS ]
  • [ 908094-01-9 ]
  • [ 58069-82-2 ]
  • [ 7456-87-3 ]
  • [ 118832-13-6 ]
  • carbonate ion [ No CAS ]
  • (13)CH2NO5P(2-) [ No CAS ]
YieldReaction ConditionsOperation in experiment
With sodium hydroxide; phosphate buffer In methanol; water at 22℃; other reagents, temperature;
  • 5
  • potassium <13C>cyanate [ No CAS ]
  • [ 58069-82-2 ]
YieldReaction ConditionsOperation in experiment
87% With ammonium sulfate; ammonium hydroxide at 70℃; for 4h;
  • 6
  • [ 58069-82-2 ]
  • [ 26464-05-1 ]
  • C5(13)CH11BrN2O2 [ No CAS ]
YieldReaction ConditionsOperation in experiment
48% In tetrahydrofuran for 15h; Heating;
  • 7
  • [ 58069-82-2 ]
  • [ 77-25-8 ]
  • [2-13C]barbital [ No CAS ]
  • 8
  • [ 58069-82-2 ]
  • [ 105-56-6 ]
  • 6-amino[2-13C]uracil [ No CAS ]
YieldReaction ConditionsOperation in experiment
74% With sodium ethanolate In ethanol for 5h; Heating;
  • 9
  • [ 58069-82-2 ]
  • [ 134-81-6 ]
  • [2-13C]phenytoin [ No CAS ]
YieldReaction ConditionsOperation in experiment
65% With potassium hydroxide at 100℃; for 3h;
  • 11
  • [ 58069-82-2 ]
  • [ 80-55-7 ]
  • [2-13C]dimethadione [ No CAS ]
YieldReaction ConditionsOperation in experiment
With sodium ethanolate 1.) ETOH, 0 deg C, 2.) EtOH, reflux, 30 h; Yield given. Multistep reaction;
YieldReaction ConditionsOperation in experiment
im Organismus von Ratten nach intraperitonealer Injektion von 13C-haltigem NaHCO3;
  • 13
  • [ 58069-82-2 ]
  • [13C](methoxy) chloroformic acid methyl ester [ No CAS ]
  • [13C]2(urea,methoxy) methoxycarbonyl urea [ No CAS ]
YieldReaction ConditionsOperation in experiment
at 100℃; for 1h;
  • 14
  • [ 58069-82-2 ]
  • [ 131543-46-9 ]
  • C2(13)C2H6O2N4 [ No CAS ]
YieldReaction ConditionsOperation in experiment
78% With hydrogenchloride In water at 85 - 90℃;
  • 15
  • ammonium sulfate [ No CAS ]
  • potassium <13C>cyanate [ No CAS ]
  • [ 58069-82-2 ]
YieldReaction ConditionsOperation in experiment
recrystn. from ethanol;
  • 16
  • [ 1071435-30-7 ]
  • [ 58069-82-2 ]
  • [ 286013-04-5 ]
YieldReaction ConditionsOperation in experiment
1: 47% 2: 49% Stage #1: trichloro[13C]methyl phenyl sulfide With ammonia In ethanol; dichloromethane; water at -80 - 20℃; for 72.5h; Stage #2: With hydrogenchloride; water Synthesis of [13C]guanidine hydrochloride; Ethanol (absolute, 230 mL) was placed into a 1 L round bottom flask with a stir bar. The round bottom flask was then attached to an argon manifold fitted with an oil bubbler in order to maintain slight positive pressure. The round bottom flask was then placed into a methanol bath equipped with a Cryocool immersion chiller. The bath was cooled to -80° C. while maintaining positive pressure on the inert gas manifold, as determined by the oil bubbler. Once the desired temperature was attained, the argon line was disconnected and a fritted glass tube connected to an anhydrous ammonia tank was introduced below the surface of the cold ethanol. Ammonia was dissolved in the cold ethanol by bubbling it through the fritted glass for one-half hour while stirring. The fritted glass tube was then removed from the flask. The reaction vessel was reattached to the argon line, removed from the cold methanol bath and permitted to warm gradually. Once the temperature had reached -15° C. (checked by IR thermometer) ammonium hydroxide (29.9% aqueous sol'n, 60 mL, to make 20% water by volume) was added to the ethanolic solution of ammonia while stirring. Trichloro-[13C]-methyl phenyl sulfide (21.81 g, 0.0954 mol, 1 equivalent) was dissolved in dichloromethane (60 mL) in order to aid its solubility in the cold polar solution. When the internal temperature had raised to -5° C. the trichloro-[13C]-methyl phenyl sulfide solution was added at once via syringe to the stirring ammonia solution. The reaction mixture was allowed to come to room temperature and stirred for three days under argon. After three days, the solution had turned dark red, and the reaction was found to be complete by 13C NMR by taking an aliquot from the reaction mixture, partitioning it between D2O and CDCl3, and monitoring the disappearance trichloro-[13C]-methyl phenyl sulfide (δ=98.9 ppm relative to CDCl3) in the organic layer and subsequent appearance of the desired guanidine-13C hydrochloride (δ=158 ppm relative to ethanol).In order to remove excess ammonia, argon was bubbled through the rapidly stirring solution using a Pasteur pipette attached to the manifold in order to deliver the stream of argon, All volatiles were removed by rotary evaporator followed by hi-vac to yield a dark brown/black solid. The solid was partitioned between water (100 mL) and dichloromethane (100 mL). The aqueous layer was washed with dichloromethane (3×100 mL) and then water was removed via rotary evaporator followed by hi-vac to yield a very dark solid (20.75 g). The dark solid was chromatographed on AG 50W X8 (hydrogen form, 100 g) cation exchange resin using 1N HCl followed by 2N HCl as the eluent system. The progress of the separation was monitored by taking aliquots directly from the column, placed directly into an NMR tube without lock solvent, and checking each aliquot for the appearance of a 13C signal by running an unlocked NMR experiment. Once a signal appeared, authentic urea-13C (δ=163 ppm) was added as a standard for comparison. Urea-13C co-eluted with ammonium chloride as the first fraction, which was eluted using 1N HCl. The eluent was changed to 2N HCl once the signal for urea-13C disappeared. Guanidine-13C hydrochloride (δ=158 ppm) appeared as the second fraction. The aqueous acid was removed from the fractions first using a rotary evaporator, and then dried using hi-vac with a nitrogen trap. The first fraction was then washed with cold ethanol and filtered to remove the ammonium chloride. The ethanol was removed using rotary evaporator followed by hi-vac to give urea-13C as a very pale yellowish solid (2.9 g, 0.047 mol, 49%). The second fraction gave guanidine-13C hydrochloride as a pale tan solid (4.3 g, 0.0446 mol, 47%) which was used without further purification.The spectra data are as follows:1H NMR (D2O, 300 MHz): δ=NA13C NMR (D2O, 75 MHz): δ 158.
  • 17
  • [ 58069-82-2 ]
  • [ 32282-43-2 ]
  • DL-2-(13)C-allantoin [ No CAS ]
  • DL-[H2N(13)CO]allantoin [ No CAS ]
YieldReaction ConditionsOperation in experiment
In nitromethane for 1h; Reflux;
  • 18
  • [ 58069-82-2 ]
  • [ 201996-37-4 ]
YieldReaction ConditionsOperation in experiment
88.4% In sulfolane at 205℃; for 2h;
87% In sulfolane; cyclohexanol at 50 - 200℃;
With sulfolane; cyclohexanol at 60 - 210℃; for 3h; 4.4.1. Synthesis of 13C3-Cyanuric Acid A mixture of sulfolane (12 g, 0.100 mol) and cyclohexanol (4 g, 0.040 mol) was stirred in a 50 mLthree-neck flask equipped with a reflux condenser. When the temperature reached 60 °C, 13C-urea (4 g,0.067 mol) was added into the flask. Under negative pressure, the reaction mixture was refluxed for3 h at 200-210 °C until the system did not generate ammonia any longer. The reaction system was cooled 50 °C, and the precipitate was filtered and washed with ethyl alcohol. The final product wasdried in an oven at 60 °C for 2 h. A total of 2.5 g (0.019 mol) of crude product was obtained, and theyield was 81.8% (Scheme 1).
  • 19
  • [ 58069-82-2 ]
  • [13C,15N]5,6-diaminopyrimidine-2,4(1H,3H)-dione [ No CAS ]
  • [13C2,15N2]uric acid [ No CAS ]
YieldReaction ConditionsOperation in experiment
296 mg at 185℃; for 1h;
  • 20
  • [ 58069-82-2 ]
  • [13C2,15N3]5,6-diaminopyrimidine-2,4(1H,3H)-dione hemisulfate [ No CAS ]
  • [13C3,15N3]uric acid [ No CAS ]
YieldReaction ConditionsOperation in experiment
80% at 190℃; for 2h;
  • 21
  • [ 93-56-1 ]
  • [ 58069-82-2 ]
  • 4-phenyl (2-<SUP>13</SUP>C)-1,3-dioxolan-2-one [ No CAS ]
YieldReaction ConditionsOperation in experiment
90% With iron(II) bromide In 1,4-dioxane at 150℃; for 18h; Inert atmosphere; Sealed tube;
  • 22
  • [ 58069-82-2 ]
  • [ 1111-72-4 ]
YieldReaction ConditionsOperation in experiment
With carbon dioxide; urease In water for 1h; Sealed tube; Enzymatic reaction;
  • 23
  • [ 58069-82-2 ]
  • [ 52263-88-4 ]
  • C16(13)CH16N2O2 [ No CAS ]
YieldReaction ConditionsOperation in experiment
75% With nickel(II) acetylacetonate; potassium fluoride; phenylsilane; zinc; bis(2-diphenylphosphinoethyl)phenylphosphine In 1-methyl-pyrrolidin-2-one at 90 - 140℃; for 20h;
Same Skeleton Products
Historical Records