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[ CAS No. 5610-49-1 ]

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Chemical Structure| 5610-49-1
Chemical Structure| 5610-49-1
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Product Details of [ 5610-49-1 ]

CAS No. :5610-49-1 MDL No. :MFCD00039702
Formula : C8H18N2 Boiling Point : -
Linear Structure Formula :- InChI Key :-
M.W :142.24 g/mol Pubchem ID :-
Synonyms :

Safety of [ 5610-49-1 ]

Signal Word:Warning Class:
Precautionary Statements:P261-P305+P351+P338 UN#:
Hazard Statements:H315-H319-H335 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 5610-49-1 ]

  • Downstream synthetic route of [ 5610-49-1 ]

[ 5610-49-1 ] Synthesis Path-Downstream   1~11

  • 1
  • [ 5610-49-1 ]
  • [ 93107-30-3 ]
  • 7-(4-butylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid [ No CAS ]
  • 2
  • [ 5610-49-1 ]
  • [ 75-15-0 ]
  • [ 39186-58-8 ]
  • 4-butyl-piperazine-1-carbodithioic acid 3-cyano-3,3-diphenyl-propyl ester [ No CAS ]
  • 3
  • [ 5610-49-1 ]
  • [ 4793-24-2 ]
  • [ 59210-25-2 ]
YieldReaction ConditionsOperation in experiment
In water; EXAMPLE 6 4-(4-n-butylpiperazine-1-yl)-6-chloro-3-sulfamoylbenzoic acid 126 Grams of <strong>[4793-24-2]6-chloro-4-fluoro-3-sulfamoylbenzoic acid</strong> (0.5 mole) were stirred with 0.2 l of N-butylpiperazine for 2 hours at 110 C. Subsequently the reaction solution was poured into 2 l of water, a small amount of amorphous precipitate formed was separated, and the filtrate was adjusted to a pH of 7.5 with 2N HCl. After having stood overnight at room temperature, the crystalline precipitate was suction-filtered and was recrystallized from a mixture of ethanol and water. Yield: 41 g (22% of the theory), degradation point: 295 to 296 C.
  • 4
  • [ 5610-49-1 ]
  • [ 14527-26-5 ]
  • N-Butylpiperazinoformamidine sulphate [ No CAS ]
YieldReaction ConditionsOperation in experiment
With N2; In water; (ii) N-Butylpiperazinoformamidine sulphate Butylpiperazine (0.71g) was dissolved in water (10ml), 2-methyl-2-thiopseudourea sulphate (Eastman, 0.52g) was added and the solution was stirred whilst N2 was bubbled through, at room temperature for 21 hours. The solution was concentrated in vacuo . The residue was triturated with i -PrOH filtered and dried in vacuo , 0.575g, mp. 243-249C.
  • 5
  • [ 5610-49-1 ]
  • [ 89465-97-4 ]
  • [ 1059705-53-1 ]
YieldReaction ConditionsOperation in experiment
36% With 1,1'-bis-(diphenylphosphino)ferrocene In tetrahydrofuran at 100℃; for 4h;
  • 6
  • [ 5610-49-1 ]
  • [ 1635-61-6 ]
  • [ 23470-42-0 ]
YieldReaction ConditionsOperation in experiment
67% With potassium carbonate In ISOPROPYLAMIDE at 130℃; for 24h; Inert atmosphere; 34.A A mixture of 5-chloro-2-nitroaniline (4.05 g, 23.5 mmol), 1 -n-butyl-piperazine(10.0 g, 70 mmol) and anhydrous potassium carbonate (3.6 g, 26 mmol) in N,N-(iimethylacetamide (10 ml) was stirred at 130 °C under nitrogen for 1 day. Sample NMR analysis showed complete conversion of the starting material. The resultant mixture was then cooled to room temperature, poured into cold water and stirred vigorously for 3 hours. The resulting yellow brown precipitate was collected by filtration, washed well with water then dried on the filter funnel. The resulting yellow brown solid was slurried in diethyl ether, filtered, washed with additional diethyl ether, dried to afford 5-(4-butyl- piperazm-l-yl)-2-nirro-phenylamine (4.4 g, 67 %) as. a yellow powder, and used in the next step without further purification. NMR (400 MHz, CDC13) δ 0.9, t (J=7.43Hz), 3H, CH3CH2CH2CH2; 1.3, m, 2H,CHsCifcCHjCHz; 1.5, m, 2H, CH3CH2CH2CH2; 2.3, t (J=7.62Hz), 2H, CH3CH2CH2CH2; 3.0-3.4, m, 6H, CH3CH2CH2CH2+2(NCH2); 2.5, m, 4H, 2(NCH2) ; 3.5, m, 4H, 2(NCH2)
  • 7
  • [ 5610-49-1 ]
  • [ 50-00-0 ]
  • [ 529-53-3 ]
  • [ 1415403-69-8 ]
YieldReaction ConditionsOperation in experiment
34.3% General procedure: To a solution of <strong>[529-53-3]scutellarein</strong> (2) (0.35 mmol) in MeOH (7.5 mL) was added 37% formaldehyde-water (27.5 muL, 0.35 mmol, 1.0 equiv), after vigorous stirring at 30 C for 30 min, different amines (0.39 mmol, 1.1 equiv) were added and the mixture was stirred for 30 min-24 h after the reaction was completed. The resulting mixture was evaporated under vacuo and the crude product was purified by silica gel column chromatography (20% MeOH in CH2Cl2) to yield the desired Mannich bases of <strong>[529-53-3]scutellarein</strong> 3a-3g (yields 30.7-41.3%).
  • 8
  • [ 5610-49-1 ]
  • [ 2461-42-9 ]
  • 3-(1-naphthyloxy)-1-(4-butylpiperazinyl)propan-2-ol [ No CAS ]
YieldReaction ConditionsOperation in experiment
95% In ethanol for 1h; Reflux; 6 3-(1-naphthyloxy)-1-(4-propylpiperazinyl)propan-2-ol (HUHS1010) Example 6 3-(1-naphthyloxy)-1-(4-propylpiperazinyl)propan-2-ol (HUHS1010) To a solution of 2-((1-naphthyloxy)methyl)oxirane (50 mg, 0.25 mmol) in ethanol (0.50 mL) was added 4-propylpiperazine (44 μL, 0.30 mmol) at room temperature. The mixture was stirred under reflux for 1 hr. The reaction mixture was concentrated under reduced pressure. The crude product was purified by silica gel column chromatography to give HUHS1010 (81 mg, 95%). 1H-NMR (400 MHz, acetone-d6) δ 0.90 (t, J=7.6 Hz, 3H), 1.28-1.57 (m, 2H), 1.40-1.47 (m, 2H), 2.28 (t, J=7.3 Hz, 2H), 2.56-2.69 (m, 6H), 3.05 (br s, 2H), 3.31 (s, 2H), 4.15 (dd, J=10.5 and 6.8 Hz, 1H), 4.22-4.28 (m, 2H), 6.97 (d, J=7.2 Hz, 1H), 7.40 (t, J=7.3 Hz, 1H), 7.45-7.51 (m, 3H), 7.85 (dd, J=8.2 and 0.92 Hz, 1H), 8.31 (dd, J=7.8 and 0.92 Hz, 1H); ESI-HRMS (positive ion, sodium formate) calcd. for C21H31N2O2 ([M+H+]): 343.2380. Found 343.2340.
95% In ethanol at 20℃; for 1h; 6 Example 6: 3-(1-naphthyloxy)-1-(4-propylpiperazinyl)propan-2-ol (HUHS 1010) 2-((1-naphthyloxy)methyl) (50 mg, 0.25 mmol) in ethanol (0.50 ml) solution of 4 - (44 μL, 0.30 mmol) oxirane propyl piperazine was added at room temperature. The mixture was stirred refluxing 1. The reaction mixture was concentrated under reduced pressure. (81 mg, 95%) was obtained by silica gel column chromatography of the crude product was purified HUHS1010.
  • 9
  • [ 5610-49-1 ]
  • [ 83-44-3 ]
  • (4R)-1-(4-butylpiperazin-1-yl)-4-[(3R,10S,12S,13R,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentan-1-one [ No CAS ]
YieldReaction ConditionsOperation in experiment
6% Stage #1: Deoxycholic acid With triethylamine In tetrahydrofuran for 0.166667h; Cooling; Stage #2: With chloroformic acid ethyl ester In tetrahydrofuran at 20℃; for 2.16667h; Cooling; Stage #3: N-butylpiperazine In dichloromethane for 24h; Synthesis of (4R)-l-(4-butylpiperazin-l-yl)-4-r(3R,10S,12S,13R,17R)-3,12- dihydroxy- 10, 13-dimethyl-2,3 ,4,5,6,7,8,9, 11 , 12, 14, 15, 16, 17-tetradecahydro- 1H- cyclopentaralphenanthren-17-yllpentan-l-one (106) Deoxycholic acid (0.5 g 0.001 mol) was dissolved in tetrahydrofuran (20 mL) with triethylamine (0.4 mL 0.001 mol). The solution was cooled for 10 minutes in cold water. Ethyl chloroformate (0.2 mL 0.001 mol) was then added dropwise over a ten minute period. Once added, the cold water was removed and the solution was stirred for 2 hours. After 2 hours, solvent removed under reduced pressure then re-dissolved in dichloromethane and washed with water then 1-butylpiperazine (0.25 mL 0.001 mol) was added and the solution was stirred for 24 hours. Water (50 mL) was then added and the solution extracted with ethyl acetate (3 x 50 mL). The organic layers were combined and washed with saturated sodium hydrogen carbonate solution (3 x 50 mL). The organic layer was dried over magnesium sulphate. Solvent was evaporated under reduced pressure. Yield; 0.04 g, 0.0004 mol, 6 %. Melting point: 92.3 - 93.5 °C. *H NMR (CDCb) (250 MHz) δ= 0.68 (s, 3H, I8-CH3), 0.89 (s, 3H, 19-CH3), 0.98 (d, 3H, 21-CH3 J=7.5), 2.38 (m, 6H, CH2), 3.48 (broad singlet, 2H, CH2), 3.62 (broad singlet, 2H, CH2), 3.98 (broad singlet, 1H, 12-CH) ppm. 13C NMR (62.9 MHz) δ= 12.7 (CH3, C18), 14.0 (CH2), 17.5 (CH3, C21), 20.6 (CH2), 23.1 (CH3, C19), 23.6 (CH2, C15), 27.5 (CH2, C7), 28.6 (CH2, C6), 28.8 (CH2, C16), 30.1 (CH2, Cl l), 30.5 (CH2, C2), 31.3 (CH2, C23), 33.6 (CH2, C22), 34.1 (CH, C9), 35.2 (C, CIO), 35.2 (CH2, CI), 36.0 (CH, C20), 36.4 (CH2, C4), 41.4 (CH2), 42.0 (CH, C5), 45.6 (CH2) 46.5 (CH2) 47.2 (CH, C17), 48.3 (CH, C14), 52.8 (CH2) 53.4 (CH2) 71.8 (CH, C3), 73.1 (CH2, C12), 171.9 (CO, C24) ppm. IR= 3300 (OH), 2930 (alkyl), 2861 (alkyl), 1594 (C=0), 1443, 1282, 1162 (C=0 ester stretch), 1011 (R2CH-OH) cm 1. MS (+ESI) m/z= Found 517.4359 (M+H)+; calculated for C32H57N2O3 517.4364; 0.9 ppm.
  • 10
  • [ 5610-49-1 ]
  • [ 139756-22-2 ]
  • C25H36N6O4S [ No CAS ]
  • 11
  • [ 5610-49-1 ]
  • [ 99-50-3 ]
  • (4-butylpiperazin-1-yl)-(3,4-dihydroxyphenyl)methanone [ No CAS ]
YieldReaction ConditionsOperation in experiment
57% Stage #1: 3,4-Dihydroxybenzoic acid With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane at 20℃; for 1h; Stage #2: N-butylpiperazine In dichloromethane at 20℃; 2.2. General procedure for the preparation of compounds 4-17 and27-34 General procedure: Amides were prepared using N-(3-dimethylaminopropyl)-N′ -ethylcarbodiimidehydrochloride (EDC.HCl) and 1-hydroxybenzotriazole(HOBt) hydrate as coupling agents (Scheme 2). In a round bottomflask, 1.1 mmol of corresponding carboxylic acid was dissolved indichloromethane (DCM) and then 1.1 mmol of both EDC.HCl and HOBtwere added. The reaction mixture was stirred at room temperatureduring 1 h prior to addition of 1 mmol of the corresponding amine. Thereaction proceeded at room temperature for 18-24 h and afterwardswashed with purified water, saturated sodium bicarbonate solution andbrine. Organic layer was dried over anhydrous Na2SO4 and concentratedunder reduced pressure. Crude material was purified by column chromatographyin silica gel using hexane:ethyl acetate as eluent to reachadequate purity.
57% Stage #1: 3,4-Dihydroxybenzoic acid With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane at 20℃; for 1h; Stage #2: N-butylpiperazine In dichloromethane at 20℃; 2.2. General procedure for the preparation of compounds 4-17 and27-34 General procedure: Amides were prepared using N-(3-dimethylaminopropyl)-N′ -ethylcarbodiimidehydrochloride (EDC.HCl) and 1-hydroxybenzotriazole(HOBt) hydrate as coupling agents (Scheme 2). In a round bottomflask, 1.1 mmol of corresponding carboxylic acid was dissolved indichloromethane (DCM) and then 1.1 mmol of both EDC.HCl and HOBtwere added. The reaction mixture was stirred at room temperatureduring 1 h prior to addition of 1 mmol of the corresponding amine. Thereaction proceeded at room temperature for 18-24 h and afterwardswashed with purified water, saturated sodium bicarbonate solution andbrine. Organic layer was dried over anhydrous Na2SO4 and concentratedunder reduced pressure. Crude material was purified by column chromatographyin silica gel using hexane:ethyl acetate as eluent to reachadequate purity.
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