1-(CYCLOHEXYLCARBONYL)PIPERAZINE97
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1-(CYCLOHEXYLCARBONYL)PIPERAZINE97
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CAS No:
27561-62-2
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Formula:
C11H20N2O
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Chemical Name:
1-(CYCLOHEXYLCARBONYL)PIPERAZINE97
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Synonyms:
cyclohexyl(piperazin-1-yl)Methanone;1-(Cyclohexylcarbonyl)piperazine, [(Piperazin-1-yl)carbonyl]cyclohexane;1-(Cyclohexylcarbonyl)piperazine 97%;1-(Cyclohexylcarbonyl)piperazine≥ 97%(GC);1-(CYCLOHEXYLCARBONYL)PIPERAZINE97;Cyclohexyl-1-piperazinylmethanone;1-(Cyclohexylcarbonyl)piperazine, 97% white to brown solid
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CAS No:
Characteristics
32.3
1.1
White to brown Solid
1.0±0.1 g/cm3
84-89 °C(lit.)
350.5°C at 760 mmHg
165.8±25.9 °C
1.505
4.37E-05mmHg at 25°C
Safety Information
NONH for all modes of transport
3
37/38-41
26-36/37/39
Xi
P261-P280-P305 + P351 + P338
H315-H318-H335
|Danger|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 40 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
1-(CYCLOHEXYLCARBONYL)PIPERAZINE97 Use and Manufacturing
General procedure: 10mM sulfochloride hydrochloride was suspendedin 50 ml ethylacetate and 11mM amine component wasadded with stirring. 2.8 ml triethylamine dissolved in 10 ml ethylacetatewas dropped in with stirring and kept stirring overnight atambient temperature. The reaction mixture was extracted threetimes with water, the organic phase was dried over sodium sulfatefiltered, and then evaporated to dryness. For cases in which an oilyproduct was obtained, the residue was treated with diisopropylether.General procedure: 10mM sulfochloride hydrochloride was suspendedin 50 ml ethylacetate and 11mM amine component wasadded with stirring. 2.8 ml triethylamine dissolved in 10 ml ethylacetatewas dropped in with stirring and kept stirring overnight atambient temperature. The reaction mixture was extracted threetimes with water, the organic phase was dried over sodium sulfatefiltered, and then evaporated to dryness. For cases in which an oilyproduct was obtained, the residue was treated with diisopropylether.General procedure: The mixture of compound 3 (1g, 4.6mmol) and 95% ethanol (30ml) was added to morpholine (0.4g, 4.6mmol).The mixture was stirred at room temperature for 30min, then warmed up to 60C. After the starting 3 was completely consumed (the reaction courses was monitored by TLC), evaporation of the ethanol, the crude yellow compound 4j was obtained and purified by preparative thin-layer chromatography over silica gel PF 254 (2mm, ethyl acetate: petroleum ether=1:1). Yield: 78%.
Computed Properties
Molecular Weight:196.29
XLogP3:1.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:196.157563266
Monoisotopic Mass:196.157563266
Topological Polar Surface Area:32.3
Heavy Atom Count:14
Complexity:194
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
1-(CYCLOHEXYLCARBONYL)PIPERAZINE97
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