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[ CAS No. 54610-70-7 ] {[proInfo.proName]}

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Chemical Structure| 54610-70-7
Chemical Structure| 54610-70-7
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Product Details of [ 54610-70-7 ]

CAS No. :54610-70-7 MDL No. :MFCD00173786
Formula : C5H7ClN2S Boiling Point : -
Linear Structure Formula :- InChI Key :-
M.W : 162.64 Pubchem ID :-
Synonyms :

Safety of [ 54610-70-7 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P301+P312-P302+P352-P304+P340-P305+P351+P338 UN#:N/A
Hazard Statements:H302-H315-H319-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 54610-70-7 ]

* 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 [ 54610-70-7 ]

[ 54610-70-7 ] Synthesis Path-Downstream   1~8

  • 1
  • [ 1003-31-2 ]
  • 2-thienyl halide [ No CAS ]
  • [ 54610-70-7 ]
  • 2
  • [ 64-17-5 ]
  • [ 18655-47-5 ]
  • [ 54610-70-7 ]
  • [ 952579-98-5 ]
YieldReaction ConditionsOperation in experiment
Heating / reflux; 57 Intermediate 57: 5-Diethoxymethyl-2-thiophen-2-yl-pyrimidine To a solution of TRIFONMYLMETHANE (0.60g, 6. 0MMOL) in dry ethanol (75ML) was added thiophene-2-carboximidamide hydrochloride (1. 17g, 7.2mmol). After stirring for 45 minutes at room temperature, the solution was heated at reflux overnight before being cooled to room temperature and concentrated, to provide 5-DIETHOXYMETHYL-2-THIOPHEN-2- YL-PYRIMIDINE as an oily orange solid. This was used without further purification.
  • 3
  • [ 54610-70-7 ]
  • [ 607-97-6 ]
  • [ 915084-37-6 ]
YieldReaction ConditionsOperation in experiment
Stage #1: thiophene-2-carboximidamide hydrochloride; ethyl 2-ethyl-3-oxobutanoate With sodium hydride In methanol at 55℃; for 24h; Stage #2: With hydrogenchloride; methanol; water at 20℃; 2 Reference Example 2 5-ethyl-6-methyl-2-(thiophene-2-yl)pyrimidin-4(3H)-one Ethyl 2-ethylacetoacetate (1.90 g, manufactured by Wako Pure Chemical Industries, Inc.) and thiophene-2-carboximidamide hydrochloride (1.63 g, manufactured by Maybridge Co.) were dissolved in methanol (80 mL), and the solution was stirred at 55° C. for 24 hours after adding sodium hydride (40% in mineral oil, 3.21 g, manufactured by Wako Pure Chemical Industries, Inc.). After allowing the reaction mixture to cool to room temperature, the solution was neutralized using 2 M hydrochloric acid. Water (200 mL) was added to the solution and the mixed solution was extracted with ethyl acetate. The extract solution was washed with saturated brine, and was concentrated after drying over anhydrous magnesium sulfate. The residue obtained was washed with diethylether to obtain the titled compound (979 mg).
  • 4
  • [ 26510-52-1 ]
  • [ 54610-70-7 ]
  • [ 1014720-86-5 ]
  • 5
  • [ 1003-31-2 ]
  • [ 54610-70-7 ]
YieldReaction ConditionsOperation in experiment
48.5% A dry 250 mL round-bottomed flask, equipped for magnetic stirring, was charged with dry methanol 40 mL and sodium methoxide (5.4 M solution in MeOH) (14.78 mL, 79.8 mmol) at N2 atmosphere. The mixture was cooled to 0 C. Thiophene-2-carbonitrile (4.12 mL, 53.2 mmol) was added dropwise. And then the reaction mixture was stirred at room temperature for 3 h. To the resulting solution was slowly added ammonium chloride (5.69 g, 106.4 mmol) and the mixture was stirred at room temperature for 68 h. The resulting suspension was filtered and the solvent was removed under reduced pressure. The solid obtained was washed with ethyl ether (3 * 25 mL) to give (4.2 g, 48.5%) of 2-thiophenecarboxamindine (HCl). A mixture of 2-thiophenecarboxamindine (2.44 g, 15 mmol), 1,3-dihydroxyacetone dimer (4.05 g, 22.5 mmol), and NH4Cl (4.81 g, 90 mmol) in ammonium hydroxide (25 mL) was heated to 80 C for 6 h. The mixture was poured into ice-cold water, extracted with CH2Cl2, and dried over Na2SO4. The solvent was removed and the product was recrystallized from ethyl acetate to give the title compound (700 mg, 25.6%) as brown solid. 1H NMR (400 MHz, DMSO-d6) delta: 13.42 (s, 1H), 7.53-7.46 (m, 2H), 7.10-7.03 (m, 1H), 5.13-4.85 (m, 1H), 4.45-4.35 (m, 2H). LC/MS (ESI) m/z: [M + 1]+ calcd for C12H23N: 181.04, found: 181.0. A suspension of alcohol (500 mg, 2.77 mmol), active MnO2 (2.4 g, 27.7 mmol) in acetone 20 ml was vigorously shaken at room temperature till the alcohol was fully oxidized. The reactionmixturewas filtered using a Celite pad. The MnO2 was washed withplenty of acetone and the collected organic phases were concentratedto give the crude product. Purification by silica gel chromatography(ethyl acetate/petroleum ether 1:1) yielded the desiredaldehyde (295 mg, 59.7%) as red solid. Compound 22, total yield:7.4%.
5.91 g To a solution of sodium methoxide (0.88 g) in methanol (50 mL) was added <strong>[1003-31-2]2-cyanothiophene</strong> (4.27 mL), and the mixture was stirred at room temperature for 10 hr. Ammonium chloride (2.70 g) was added, and the mixture was stirred at room temperature overnight. Unreacted ammonium chloride was filtered off. The solvent was evaporated under reduced pressure, and the residue was washed with diethyl ether to give the title compound (5.91 g). MS: [M+H]+ 127.1.
General procedure: A 100 mL flask was charged with 30 mL of anhydrous MeOH, 10 mmol of the arylnitrile, and 1.0 mmol of sodium methoxide. The complex was protected from moisture and stirred for 48 h. Then, 10 mmol of NH4Cl was added and stirring was continued for 24 h. Unreacted NH4Cl was filtered, and methanol was stripped from the filtrate to afford the product aryl amidine hydrochlorides, which was dissolved in 2.5 mL 8M sodium hydroxide aqueous solution and stirred for 1 h. Then chloroform (20 ml x 3) and H2O (20 ml x 3) were added successively to extract the product, and the combined organic layer was dried with anhydrous MgSO4 and then evaporated under vacuum to remove the organic solvent to give the desired arylamidine.
  • 6
  • [ 262609-07-4 ]
  • [ 54610-70-7 ]
  • C14H7F3N2O2S [ No CAS ]
YieldReaction ConditionsOperation in experiment
With tributyl-amine at 180℃; for 1h; Inert atmosphere;
  • 7
  • [ 53370-51-7 ]
  • [ 54610-70-7 ]
YieldReaction ConditionsOperation in experiment
75% Stage #1: N'-hydroxythiophene-2-carboximidamide With acetic anhydride; acetic acid at 20℃; for 0.5h; Stage #2: With triethylsilane; palladium dichloride at 70 - 75℃; for 2.5h; Stage #3: With hydrogenchloride In ethanol
  • 8
  • [ 22744-12-3 ]
  • [ 54610-70-7 ]
  • C15H14N2O3S [ No CAS ]
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[ 54610-70-7 ]

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A347284[ 54610-75-2 ]

Thiophene-2-carboximidamide

Reason: Free-salt