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1-(sec-butyl)-4-(2-(4-(4-hydroxyphenyl)piperazin-1-yl)phenyl)-1H-1,2,4-triazol-5(4H)-one

2,4-dihydro-4-[(4-(4-hydroxyphenyl)-1-piperazinyl)phenyl]-2-(1-methylpropyl)-3H-1,2,4-triazole-3-one

CAS: 106461-41-0

Molecular Formula: C22H27N5O2

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  5. 1-(sec-butyl)-4-(2-(4-(4-hydroxyphenyl)piperazin-1-yl)phenyl)-1H-1,2,4-triazol-5(4H)-one

1-(sec-butyl)-4-(2-(4-(4-hydroxyphenyl)piperazin-1-yl)phenyl)-1H-1,2,4-triazol-5(4H)-one - Names and Identifiers

Name 2,4-dihydro-4-[(4-(4-hydroxyphenyl)-1-piperazinyl)phenyl]-2-(1-methylpropyl)-3H-1,2,4-triazole-3-one
Synonyms Itraconazole Hydroxy Isobutyltriazolone
Itraconazole Hydroxy Isobutyltriazolone IMpurity
1-sec butyl-[4[4(4-hydroxyphenyl)-1-piperazinyl]-phenyl]-1,2,4-triazolo-5-one
2-butan-2-yl-4-[2-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]-1,2,4-triazol-3-one
2-sec-butyl-4-{4-[4-(4-hydroxyphenyl)piperazin-1-yl]phenyl}-2h-1,2,4-triazol-3(4h)-one
2-sec-butyl-4-{4-[4-(4-hydroxyphenyl)piperazin-1-yl]phenyl}-2h-1,2,4-triazol-3(4H)-one
1-(sec-Butyl)-4-(4-(4-(4-hydroxyphenyl)piperazin-1-yl)phenyl)-1H-1,2,4-triazol-5(4H)-one
1-(sec-butyl)-4-(2-(4-(4-hydroxyphenyl)piperazin-1-yl)phenyl)-1H-1,2,4-triazol-5(4H)-one
2-sec-butyl-4-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]phenyl]-2,4-dihydro-[1,2,4]triazol-3-one
2,4-Dihydro-4-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]-2-(1-methylpropyl)-3H-1,2,4-triazol-
2,4-dihydro-4-[(4-(4-hydroxyphenyl)-1-piperazinyl)phenyl]-2-(1-methylpropyl)-3H-1,2,4-triazole-3-one
2,4-dihydro-4-(4-(4-(4-hydroxyphenyl)-1-piperazinyl)phenyl)-2-(1-methylpropyl)-3H-1,2,4-triazol-3-one
4-{4-[4-(4-hydroxyphenyl)piperazin-1-yl]phenyl}-2-(1-methylpropyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
2,4-dihydro-4-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]-2-(1-methylpropyl)-3H-1,2,4-triazol-3-one
2,4-dihydro-4-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]-phenyl]-2-(1-methylpropyl)-3H-1,2,4-triazol-3-one
2,4-dihydro-4-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]-2-(1-methylpropyl)-3H-1,2,4-triazole-3-one
2,4-Dihydro-4-[4-[4-(4-Hydroxyphenyl)-1-Piperazinyl)Phenyl]-2-(1-Methyl Propyl)-3H-1,2,4-Triazole-3-One.
CAS 106461-41-0
EINECS 434-820-9
InChI InChI=1/C22H27N5O2/c1-3-17(2)27-22(29)26(16-23-27)20-6-4-18(5-7-20)24-12-14-25(15-13-24)19-8-10-21(28)11-9-19/h4-11,16-17,28H,3,12-15H2,1-2H3

1-(sec-butyl)-4-(2-(4-(4-hydroxyphenyl)piperazin-1-yl)phenyl)-1H-1,2,4-triazol-5(4H)-one - Physico-chemical Properties

Molecular FormulaC22H27N5O2
Molar Mass393.48
Density1.25±0.1 g/cm3(Predicted)
Melting Point177-179°C
Boling Point587.9±60.0 °C(Predicted)
Flash Point309.4°C
Solubility Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
Vapor Presure2.03E-14mmHg at 25°C
AppearanceSolid
ColorOff-White Pale Brown
pKa12.18±0.30(Predicted)
Storage ConditionSealed in dry,Room Temperature
Refractive Index1.647

1-(sec-butyl)-4-(2-(4-(4-hydroxyphenyl)piperazin-1-yl)phenyl)-1H-1,2,4-triazol-5(4H)-one - Risk and Safety

Hazard SymbolsXn - Harmful
Harmful
N - Dangerous for the environment
Dangerous for the environment
Risk CodesR48/22 - Harmful danger of serious damage to health by prolonged exposure if swallowed.
R50/53 - Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. 
Safety DescriptionS2 - Keep out of the reach of children.
S22 - Do not breathe dust.
S36 - Wear suitable protective clothing.
S60 - This material and its container must be disposed of as hazardous waste.
S61 - Avoid release to the environment. Refer to special instructions / safety data sheets. 

1-(sec-butyl)-4-(2-(4-(4-hydroxyphenyl)piperazin-1-yl)phenyl)-1H-1,2,4-triazol-5(4H)-one - Reference Information

Application 2, 4-dihydro-4-[[4-(4-hydroxyphenyl)-1-piperazinyl] phenyl]-2-(1-methylpropyl)-3H-1,2, 4-triazol-3-one can be used as organic synthesis intermediates and pharmaceutical intermediates, it is mainly used in the laboratory research and development process and chemical production process, and is mainly used in the synthesis of itraconazole.
use intermediates synthesized by itraconazole.
Last Update:2024-04-09 02:00:05
1-(sec-butyl)-4-(2-(4-(4-hydroxyphenyl)piperazin-1-yl)phenyl)-1H-1,2,4-triazol-5(4H)-one
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View History
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