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Chemical Structure| 96-31-1 Chemical Structure| 96-31-1
Chemical Structure| 96-31-1

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CAS No.: 96-31-1

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Product Details of [ 96-31-1 ]

CAS No. :96-31-1
Formula : C3H8N2O
Linear Structure Formula :(CH3)NHCONHCH3
M.W : 88.11
MDL No. :MFCD00008286
InChI Key :MGJKQDOBUOMPEZ-UHFFFAOYSA-N
Pubchem ID :7293

Safety of [ 96-31-1 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H373
Precautionary Statements:P501-P260-P314

Application In Synthesis [ 96-31-1 ]

* 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 [ 96-31-1 ]

[ 96-31-1 ] Synthesis Path-Downstream   1~10

  • 1
  • [ 96-31-1 ]
  • [ 381-98-6 ]
  • [ 85199-77-5 ]
  • 2
  • [ 96-31-1 ]
  • [ 52133-67-2 ]
  • [ 128751-18-8 ]
  • 3
  • [ 96-31-1 ]
  • [ 616-38-6 ]
  • [ 6642-30-4 ]
YieldReaction ConditionsOperation in experiment
W.R. Grace silica gel; at 150℃; under 26618.1 Torr; for 12h;Conversion of starting material; The procedure in example-38 was exactly repeated except that for the charge 6.32 x10"3 mol N, N'dimethyl urea, 15 ml dimethyl carbonate and 400 mg W. R. Grace silica gel catalyst were added. After cooling to room temperature the reaction mixture was filtered to separate the catalyst. Analysis of reaction crude by LC showed conversion of N, N' diphenyl urea to be 91 % and selectivity to N-methyl methyl carbamate to be 98 %.
silica gel; at 150℃; under 26618.1 Torr; for 12h; The procedure in example-38 was exactly repeated except that for the charge 6.32×103 mol N,N'dimethyl urea, 15 ml dimethyl carbonate and 400 mg W. R. Grace silica gel catalyst were added. After cooling to room temperature the reaction mixture was filtered to separate the catalyst. Analysis of reaction crude by LC showed conversion of N,N' diphenyl urea to be 91% and selectivity to N-methyl methyl carbamate to be 98%.
  • 4
  • [ 96-31-1 ]
  • [ 6642-30-4 ]
YieldReaction ConditionsOperation in experiment
After 6.3 hours, GC analysis showed 100% conversion of N,N'-dimethyl urea and the yield of methyl methyl carbamate was 95.5 mmol.
Example 11 Methyl methyl carbamate was produced by charging the following components to a 300 ml stirred autoclave: The reaction was carried out in accordance with the procedure described in Example 1 except that N,N'-dimethyl urea replaced methyl amine and the liquid phase was analyzed by gas chromatography (GC) at the end of the reaction. After 6.3 hours, GC analysis showed 100% conversion of N,N'-dimethyl urea and the yield of methyl methyl carbamate was 95.5 mmol.
  • 5
  • [ 96-31-1 ]
  • [ 53090-43-0 ]
  • 6-(3,4-dichlorophenyl)-1,3-dimethyl-2,4(1H,3H)-pyrimidinedione [ No CAS ]
YieldReaction ConditionsOperation in experiment
EXAMPLE 4 6-(3,4-Dichlorophenyl)-1,3-dimethyl-2,4(1H,3H)pyrimidinedione (5.27 g) was obtained according to substantially the same manner as that of Example 2 from <strong>[53090-43-0]ethyl 2-(3,4-dichlorobenzoyl)acetate</strong> (10.0 g) and N,N'-dimethylurea (3.71 g). mp: 172-175 C. IR (Nujol): 1695, 1660, 1620 cm-1 NMR (DMSO-d6, delta): 7.83 (1H, d, J=2 Hz), 7.80 (1H, d, J=8 Hz), 7.50 (1H, dd, J=2 Hz, 8 Hz), 5.68 (1H, s), 3.23 (3H, s), 3.10 (3H, s).
  • 6
  • [ 6283-81-4 ]
  • [ 96-31-1 ]
  • 6-(pyridin-3-yl)-1,3-dimethyl-2,4(1H,3H)-pyrimidinedione [ No CAS ]
YieldReaction ConditionsOperation in experiment
With hydrogenchloride; sodium hydrogencarbonate; In ethanol; EXAMPLE 12 To a mixture of ethyl nicotinoylacetate (2.30 g) and N,N'-dimethylurea (1.05 g) were added conc. hydrochloric acid (a few drops) and ethanol (1 ml) and the mixture was stirred at 110-115 C. for 4 hours under reduced pressure (30 mmHg). After being cooled to ambient temperature, the solution was adjusted to pH 7.0 with an aqueous solution of sodium bicarbonate and extracted with ethyl acetate. The extract was washed with brine, dried over magnesium sulfate and evaporated to give 6-(3-pyridyl)-1,3-dimethyl-2,4(1H,3H)-pyrimidinedione (0.91 g). mp: 120-122 C. IR (Nujol): 1705, 1660 cm-1 NMR (DMSO-d6, delta): 8.68 (2H, m), 7.95 (1H, m), 7.53 (1H, dd, J=4.5 Hz), 5.70 (1H, s), 3.23 (3H, s), 3.10 (3H, s).
  • 7
  • [ 553-90-2 ]
  • [ 96-31-1 ]
  • [ 5176-82-9 ]
  • [ 6642-30-4 ]
  • [ 54154-11-9 ]
  • 8
  • [ 96-31-1 ]
  • [ 95-92-1 ]
  • [ 5176-82-9 ]
  • [ 105-40-8 ]
  • [ 18522-95-7 ]
  • 9
  • [ 96-31-1 ]
  • [ 150-13-0 ]
  • [ 6274-22-2 ]
  • 10
  • [ 451-40-1 ]
  • [ 178686-24-3 ]
  • [ 96-31-1 ]
  • [ 1283117-50-9 ]
YieldReaction ConditionsOperation in experiment
11.6% With chloro-trimethyl-silane; In N,N-dimethyl-formamide; at 20℃;Inert atmosphere; 00186] A mixture of 1,2-diphenylethanone (300 mg, 1.53 mmol), 3-ethoxy-4- hydroxy-5-nitrobenzaldehyde (324 mg, 1.53 mmol), and 1,3-dimethylurea (174 mg, 1.98 mmol) in DMF (5 mL) was added TMSC1 (1.0 g, 9.12 mmol), and the reaction mixture was stirred at room temperature overnight under nitrogen. LCMS showed that about 30% of starting materials were consumed. H20 (10 mL) was added to quench the reaction, and the aqueous layer was extracted with EtOAc (30 mLx3). The combined organic layer was washed with brine (20 mL), dried over Na2S04, filtered, and concentrated. The residue was purified by column chromatography (PE: EtOAc=l :2) and preparative HPLC to afford Compound 41 as a yellow solid (82 mg, yield: 11.6%). 1H NMR (DMSO- 6 400 MHz):
 

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