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[ CAS No. 3731-59-7 ] {[proInfo.proName]}

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Chemical Structure| 3731-59-7
Chemical Structure| 3731-59-7
Structure of 3731-59-7 * Storage: {[proInfo.prStorage]}
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Product Details of [ 3731-59-7 ]

CAS No. :3731-59-7 MDL No. :MFCD00460678
Formula : C6H13N5O Boiling Point : -
Linear Structure Formula :- InChI Key :-
M.W : 171.20 Pubchem ID :-
Synonyms :

Safety of [ 3731-59-7 ]

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 [ 3731-59-7 ]

* 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 [ 3731-59-7 ]

[ 3731-59-7 ] Synthesis Path-Downstream   1~38

  • 2
  • [ 110-78-1 ]
  • [ 3731-59-7 ]
  • [ 58248-17-2 ]
YieldReaction ConditionsOperation in experiment
With sodium hydroxide
  • 3
  • [ 542-85-8 ]
  • [ 3731-59-7 ]
  • [ 58248-22-9 ]
YieldReaction ConditionsOperation in experiment
With sodium hydroxide
  • 4
  • [ 628-30-8 ]
  • [ 3731-59-7 ]
  • [ 58248-23-0 ]
YieldReaction ConditionsOperation in experiment
With sodium hydroxide
  • 5
  • [ 3731-59-7 ]
  • [ 622-78-6 ]
  • [ 58248-25-2 ]
YieldReaction ConditionsOperation in experiment
With sodium hydroxide
  • 6
  • [ 3731-59-7 ]
  • [ CAS Unavailable ]
  • [ 58248-19-4 ]
YieldReaction ConditionsOperation in experiment
With sodium hydroxide
  • 7
  • [ 3731-59-7 ]
  • [ 107-99-3 ]
  • [ 58248-40-1 ]
YieldReaction ConditionsOperation in experiment
With pyridine
  • 8
  • [ 3731-59-7 ]
  • [ 109-54-6 ]
  • [ 58248-42-3 ]
YieldReaction ConditionsOperation in experiment
With pyridine
  • 9
  • [ 3731-59-7 ]
  • [ 100-35-6 ]
  • [ 58248-41-2 ]
YieldReaction ConditionsOperation in experiment
With pyridine
  • 10
  • [ 3731-59-7 ]
  • [ 556-61-6 ]
  • [ 58248-21-8 ]
YieldReaction ConditionsOperation in experiment
With sodium hydroxide
  • 11
  • [ 3731-59-7 ]
  • [ 134-81-6 ]
  • [ 36092-20-3 ]
YieldReaction ConditionsOperation in experiment
With sodium ethanolate
  • 12
  • [ 3731-59-7 ]
  • [ CAS Unavailable ]
  • [ 58248-16-1 ]
YieldReaction ConditionsOperation in experiment
With sodium hydroxide
  • 13
  • [ 3731-59-7 ]
  • [ 57-06-7 ]
  • [ 58248-26-3 ]
YieldReaction ConditionsOperation in experiment
With sodium hydroxide
  • 14
  • [ 3731-59-7 ]
  • [ 111-36-4 ]
  • [ 58248-18-3 ]
YieldReaction ConditionsOperation in experiment
With sodium hydroxide
  • 15
  • [ 96-49-1 ]
  • [ 3731-59-7 ]
  • [ 2045-26-3 ]
YieldReaction ConditionsOperation in experiment
47% In N,N-dimethyl-formamide for 96h; Ambient temperature;
  • 16
  • [ 2094-73-7 ]
  • [ 3731-59-7 ]
  • 2-amino-4-(tricyclo<3.3.1.13,7>decyl-1)-6-morpholino-1,3,5-triazine [ No CAS ]
YieldReaction ConditionsOperation in experiment
60% With sodium methylate In methanol a) 0 deg C, 30 min, b) RT, 2 d, c) 35 deg C, 4 d;
  • 17
  • [ 3731-59-7 ]
  • [ 38922-77-9 ]
  • [ 115854-26-7 ]
YieldReaction ConditionsOperation in experiment
30% With sodium methylate In methanol 1.) r.t., 2.) reflux;
  • 18
  • [ 3731-59-7 ]
  • [ 123531-52-2 ]
  • [ 115854-33-6 ]
  • 22
  • [ 3731-59-7 ]
  • [ 95792-63-5 ]
  • [ 201229-58-5 ]
YieldReaction ConditionsOperation in experiment
63% In toluene Heating;
  • 23
  • [ 3731-59-7 ]
  • [ 105-39-5 ]
  • [ 21868-41-7 ]
YieldReaction ConditionsOperation in experiment
51% In ethanol at 20℃; for 12h;
  • 24
  • [ 3731-59-7 ]
  • [ 105-56-6 ]
  • [ 886968-56-5 ]
YieldReaction ConditionsOperation in experiment
16% In methanol at 20℃; for 3h;
  • 25
  • [ 3731-59-7 ]
  • [ 105-36-2 ]
  • [ 871332-14-8 ]
YieldReaction ConditionsOperation in experiment
39% In methanol at 20℃; for 2.5h;
  • 26
  • [ 3731-59-7 ]
  • [ 871332-35-3 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 4 steps 1: 39 percent / methanol / 2.5 h / 20 °C 2: 80 percent / dimethylformamide / 12 h / 20 °C 3: 38 percent / diethyl cyanophosphonate; triethylamine / dimethylformamide / 12 h / 20 °C 4: 80 percent / NaOH / tetrahydrofuran; H2O / 4 h / 20 °C
  • 27
  • [ 3731-59-7 ]
  • [ CAS Unavailable ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1: 39 percent / methanol / 2.5 h / 20 °C 2: 80 percent / dimethylformamide / 12 h / 20 °C 3: 38 percent / diethyl cyanophosphonate; triethylamine / dimethylformamide / 12 h / 20 °C
  • 28
  • [ 3731-59-7 ]
  • [ 7537-63-5 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: 16 percent / methanol / 3 h / 20 °C 2: 27 percent / sodium carbonate / dimethylformamide; H2O / Heating
  • 29
  • [ 3731-59-7 ]
  • [ 201229-95-0 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: 63 percent / toluene / Heating 2: 69 percent / NaOH, Na2CO3 / H2O / 6 h / 40 - 85 °C
  • 30
  • [ 3731-59-7 ]
  • [ CAS Unavailable ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: 63 percent / toluene / Heating 2: 81 percent / DMSO / 10 h / 90 °C
  • 31
  • [ 3731-59-7 ]
  • [ 724692-34-6 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: NaOEt 2: aq. HCl
  • 32
  • [ 110-91-8 ]
  • [ 461-58-5 ]
  • [ 3731-59-7 ]
YieldReaction ConditionsOperation in experiment
22% Stage #1: morpholine; N-Cyanoguanidine In toluene at 20℃; for 0.25h; Stage #2: With hydrogenchloride In water; toluene for 7h; 2.2. General Procedure for the Synthesis of Compounds 1-10. General procedure: To a solution of dicyandiamide (0.5 g, 0.0060 mol) intoluene (5 mL) was added 1.1 mol equiv of correspondingalkylamines - or arylamines -. After the reactionmixture was stirred at room temperature for 15min, amixture 50 : 50 of HCl diluted in water (2.5 mL) was addeddropwise. This mixture was stirred at reflux for 3 to 16 h.After that, the obtained residuewas neutralizedwith a dilutedsolution of NH4OH. Solvent was removed under vacuum,and the residues were washed with water. The crude solidproducts were then recrystallized from ethanol affording titlecompounds (Figure 2, Table 1).
In 1,4-dioxane at 90℃; for 0.25h; Microwave irradiation;
  • 33
  • [ 3731-59-7 ]
  • [ 1381874-51-6 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: sodium hydroxide / water / 12 h / 20 °C 2: acetic acid / Reflux; Inert atmosphere
  • 34
  • [ 3731-59-7 ]
  • [ 141-97-9 ]
  • [ 55474-80-1 ]
YieldReaction ConditionsOperation in experiment
With sodium hydroxide In water at 20℃; for 12h;
  • 35
  • [ 1993443-78-9 ]
  • [ 3731-59-7 ]
  • [ 2074651-74-2 ]
YieldReaction ConditionsOperation in experiment
52.39 mg In methanol at 20℃; for 24h; 23 Example 23UA-Gua synthesis, structure such as the formula XVIII, chemical name:(1S, 2R, 4aS, 6aS, 6bR, 12aR) -10-hydroxy-N- (imino (morpholino) methyl) carbamimidoyl) -1,2,6a, 6b, 9,9,12a-heptamethyl-1 , 3,4,5,6,6a, 6b, 7,8,8a, 9,10,11,12,12a, 12b, 13,14b-octadecahydropicene-4a (2H) -Carboxamide At room temperature, 200 mg of UA and 181 mg of DCC were dissolved with 3 ml of THF;The reaction flask was added dropwise to 101 mg of NHS dissolved in 1.7 ml of acetonitrile in an ice bath.The reaction was stirred at room temperature for 24 h. After the reaction was complete, the insoluble matter was removed by filtration, the solvent was distilled off under reduced pressure,Column column was activated after purification of UA. Take 100 mg of activated UA pure and53.47mg of Gua with 5 ml of methanol stirring dissolved at room temperature for 24 h,The solvent was evaporated under reduced pressure and the column was purified by UA-Gua (52.39 mg) in a yield of 47.6%.
  • 36
  • [ CAS Unavailable ]
  • [ 3731-59-7 ]
  • [ CAS Unavailable ]
YieldReaction ConditionsOperation in experiment
51.32 mg In methanol at 20℃; for 24h; 24 Example 24(9aR, 6bS, 8aS, 11R, 12S, 14bR) -8a - ((N- (imino (morpholino) methyl) carbamimidoyl) carbamoyl) -4, the structure of UA1-Gua, 4, 6a, 6b, 11, 12, 14b-Heptamethyl-1,2,3,4,4a, 5,6,6a, 6b, 7,8,8a, 9,10,11,12,12a, 14,14a, 14b-Icosahydropicen-3-yl acetate At room temperature, 200 mg of UA1 and 170.9 mg of DCC were dissolved with 3 ml of THF;The reaction flask was added dropwise to an ice bath with 95.4 mg of NHS dissolved in advance with 1.7 ml of acetonitrile.Stirring at room temperature for 24 h, until the UA1 reaction is complete, the filter to remove insoluble,The solvent was distilled off under reduced pressure, and the column was subjected to pure UA1. After 100 mg of activated UA1 and 51.11 mg of Gua were stirred with 5 ml of methanol and reacted at room temperature for 24 h,The solvent was evaporated under reduced pressure and the column was purified to give pure UA1-Gua (51.32 mg) in a yield of 46.8%.
  • 37
  • [ CAS Unavailable ]
  • [ 3731-59-7 ]
  • [ 2074651-76-4 ]
YieldReaction ConditionsOperation in experiment
53.32 mg In methanol at 20℃; for 24h; 25 Example 25UA2-Gua synthesis, structure as shown in XX, chemical name: (1S, 2R, 4aS, 6aS, 6bR, 12aR) -N- (N- (iminoMorpholino methyl) carbamimidoyl-1,2,6a, 6b, 9,9,12a-heptamethyl-10-oxo-1,3,4,5,6,6a, 6b, 7,8,8a, 10, 11, 12, 12a, 12b, 13, 14b-octadecahydropicene-4a (2H) -Carboxamide At room temperature, 200 mg of UA2 and 181.5 mg of DCC were dissolved with 3 ml of THF;The reaction flask was charged with 101.3 mg of NHS dissolved in advance with 1.7 ml of acetonitrile on an ice bath.Stirring at room temperature for 24 h, until the UA2 reaction is complete, the filter to remove insoluble,The solvent was distilled off under reduced pressure and the column was purified to produce UA2 pure product. Take 100 mg of activated UA2 and 53.71 mgOf Gua with 5 ml of methanol stirring dissolved at room temperature for 24 h, the solvent was evaporated under reduced pressure,The column was precipitated with UA2-Gua (53.32 mg) in a yield of 48.4%.
  • 38
  • [ CAS Unavailable ]
  • [ 3731-59-7 ]
  • [ CAS Unavailable ]
YieldReaction ConditionsOperation in experiment
55.07 mg In methanol at 20℃; for 24h; 20 Example 20UA3-Mor synthesis, structure as shown in XV, chemical name:(6aR, 6bS, 8aS, 11R, 12S, 14bR) -8a - ((N- (2- (azocan-1-yl) ethyl) carbamimidoyl) carbamoyl) -4,4,6a, 6b, 11,12,14b -heptamethyl-1,2,3,4,4a, 5,6,6a, 6b, 7,8,8a, 9,10,11,12,12a, 14,14a, 14b-icosahydropicen-3-yl 2,2-dichloroacetate At room temperature, 200 mg of UA3 and 145.63 mg of DCC were dissolved with 3 ml of THF;The reaction flask was added dropwise to an ice bath with 81.29 mg of NHS dissolved in advance with 1.7 ml of acetonitrile.The reaction was stirred at room temperature for 24 h. After the reaction of UA3 was complete, the insoluble matter was removed by filtration, the solvent was evaporated under reduced pressure,The column was precipitated after the UA3 was purified. Take 100 mg of activated UA3 pure and31.62 mg of Mor was stirred with 5 ml of methanol and reacted at room temperature for 24 h,The solvent was evaporated under reduced pressure and the column was chromatographed to give pure UA3-Mor (55.07 mg) in a yield of 48.2%.
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