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[ CAS No. 3740-83-8 ] {[proInfo.proName]}

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Chemical Structure| 3740-83-8
Chemical Structure| 3740-83-8
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Product Details of [ 3740-83-8 ]

CAS No. :3740-83-8 MDL No. :MFCD09743480
Formula : C11H10N2O2 Boiling Point : -
Linear Structure Formula :- InChI Key :-
M.W : 202.21 Pubchem ID :-
Synonyms :

Safety of [ 3740-83-8 ]

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

Application In Synthesis of [ 3740-83-8 ]

* 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 [ 3740-83-8 ]

[ 3740-83-8 ] Synthesis Path-Downstream   1~8

YieldReaction ConditionsOperation in experiment
Rk. mit HNO3 -> 2-Benzyl-4,6-dihydroxy-5-nitro-pyrimidin;
YieldReaction ConditionsOperation in experiment
Phenylacetamidin, Diethylmalonat;
Malondiamid, Phenylessigsaeure-ethylester, Na-Ethylat;
  • 3
  • [ 2498-46-6 ]
  • [ 105-53-3 ]
  • [ 3740-83-8 ]
YieldReaction ConditionsOperation in experiment
44% Stage #1: 2-phenylacetamidine hydrochloride With sodium ethanolate In ethanol at 20℃; for 0.0833333h; Stage #2: diethyl malonate In ethanol Reflux; Stage #3: With hydrogenchloride In water 5a Sodium metal (168 mg, 7.3 mmol) was dissolved in 8 mL of anhydrous ethanol. To this was added 500 mg (2.93 mmol) of 2-phenylacetimidamide hydrochloride 3a and the reaction was allowed to stir at room temperature for 5 minutes. Diethyl malonate (2.9 mmol) was then added and the reaction was heated to reflux overnight. The reaction was then cooled to room temperature and filtered. The solid was washed several times with absolute ethanol. The filtrate and washings were combined and diluted with 2 volumes of water and acidified with 5N HCl to a pH of 2 and the product precipitated. The mixture was chilled and then filtered. The solid was washed several times with diethyl ether and then dried to yield 262 mg (44%) of a peach colored solid. MS: (ESI, Neg) m/z 200.8 (M-1) 1H NMR (500 MHz, DMSO-d6): δ (ppm) 11.80 (br.s, 2H), 7.32 (m, 4H), 7.25 (m, 1H), 5.09 (s, 1H), 3.80 (s, 2H).
  • 4
  • pulegone [ No CAS ]
  • [ 3740-83-8 ]
  • [ 1196464-09-1 ]
YieldReaction ConditionsOperation in experiment
Stage #1: pulegone; 2-benzyl-1<i>H</i>-pyrimidine-4,6-dione With trichlorophosphate In benzene for 4h; Reflux; Stage #2: With sodium hydrogencarbonate In water; benzene 8 The material was synthesized from 2-benzylpyrimidine-4,6-diol 5a and pulegone according to the method of Adams (U.S. Pat. No. 2,419,934). In general, 5a (1 eq), pulegone (1.5 eq), POCl3 (0.3 eq) and dry benzene are refluxed for 4 hours. The excess POCl3 was decomposed in aqueous sodium bicarbonate and the mixture was extracted with Et2O, dried, and evaporated. The product was purified by flash chromatography using a methanol/methylene chloride gradient.
  • 5
  • [ 2385-77-5 ]
  • [ 3740-83-8 ]
  • 3-benzyl-6,6,9-trimethyl-6a,7,8,9,10,10a-hexahydro-6H-isochromeno[3,4-d]pyrimidin-1-ol [ No CAS ]
YieldReaction ConditionsOperation in experiment
69% With piperidine; pyridine In ethanol at 130℃; for 1h; Microwave irradiation; 6a 3-Benzyl-6,6,9-trimethyl-6a,7,8,9,10,10a-hexahydro-6H-isochromeno[3,4-d]pyrimidin-1-ol (6a)-2-benzylpyrimidine-4,6-diol (5a, 100 mg, 0.49 mmol) was added to 3 mL of absolute ethanol in a 10 mL microwave reaction vessel. To this was also added 66 μL of pyridine and 3 μL of piperidine followed by 266 μL (1.47 mmol) of (R)-(+)-citronellal. The reaction vessel was then sealed and irradiated at 200 watts to 130° C. for 1 hour. The solvent was then removed by rotary evaporation and the product purified by flash chromatography using a methanol/methylene chloride gradient to yield 180 mg (69%) of the objective product as a light brown resin. MS: (ESI, Neg) m/z 337.0 (M-1). 1H NMR (500 MHz, CDCl3): δ (ppm) 13.01 (br.s, 1H), 7.49 (d, 2H), 7.30 (t, 3H), 7.25 (m, 1H), 3.92 (s, 2H), 3.28 (d, 1H), 2.37 (m, 1H), 1.84 (m, 2H), 1.69 (m, 1H), 1.46 (s, 3H), 1.38 (m, 1H), 1.19 (s, 3H), 1.05 (m, 2H), 0.92 (d, 3H), 0.66 (q, 1H).
  • 6
  • 2-phenyl-acetamidine hydrochloride [ No CAS ]
  • [ 105-53-3 ]
  • [ 3740-83-8 ]
YieldReaction ConditionsOperation in experiment
44% Stage #1: 2-phenyl-acetamidine hydrochloride With ethanol; sodium at 20℃; for 0.0833333h; Stage #2: diethyl malonate In ethanol Reflux; Stage #3: With hydrogenchloride In ethanol; water 4 Example 44a [0084] 2-Benzy Ipv rimidine-4,6-diol - Sodium metal (168 mg, 7.3 mmol) is dissolved in 8 ml of anhydrous ethanol. To this is added 500 mg (2.93 mmol) of 2-phenylacetimidamide hydrochloride and the reaction is allowed to stir at room temperature for 5 minutes. Diethyl malonate (2.9 mmol) is then added and the reaction is heated to reflux overnight. The reaction is then cooled to room temperature and filtered. The solid is washed several times with absolute ethanol and the filtrate and washings are combined and diluted with 2 volumes of water and acidified with 5 N HCl to a pH of ~2 to afford the precipitated product. The mixture is chilled and then filtered. The solid is washed several times with diethyl ether and then dried to yield 262 mg (44% yield) of a peach colored solid. MS: (ESI, Neg) m/z 200.8 (M-I); 1H NMR (500 MHz, DMSO-d6): δ (ppm) 11.80 (br.s, 2H), 7.32 (m, 4H), 7.25 (m, IH), 5.09 (s, IH), 3.80 (s, 2H).
  • 7
  • [ 140-29-4 ]
  • [ 3740-83-8 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1.1: ammonium chloride; trimethylaluminum / toluene / 18 h / 80 °C / Inert atmosphere 1.2: 16 h / 20 °C 2.1: ethanol; sodium / 0.08 h / 20 °C 2.2: Reflux 2.3: pH ~ 2
  • 8
  • [ 3740-83-8 ]
  • [ 3740-82-7 ]
YieldReaction ConditionsOperation in experiment
70% With trichlorophosphate at 100℃; for 48h; Green chemistry; General Scale Up Procedure for the 2-Substituted 4,6-Dichloropyrimidines 5 General procedure: To 40 g of the 2-substituted 6-hydroxy-[3H]-pyrimidin-4-one 4, 300 mL of phosphoryl chloride was added. The mixture was heated for 48 h at 100°C. The excess of phosphoryl chloride was removed by distillation under reduced pressure (20 mbar). Chloroform (200 mL) and ice water (100 mL) were added and the mixture was well stirred for 30 min. The solution was adjusted to pH 5-6 with aqueous sodium carbonate solution. The organic layer was separated and the water phase was extracted three times with 200 mL of chloroform. The combined chloroform phases were dried with magnesium sulfate, filtered, and finally the chloroform was removed under reduced pressure. The obtained crude material was distilled under reduced pressure or purified by column chromatography using silica gel, mesh 60, and chloroform.
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