Basic information
- Name:
3H-1,2,4-Triazol-3-one,2,4-dihydro-4-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]-2-(1-methylpropyl)-
- Superlist Name:
- 2,4-Dihydro-4-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]-2-(1-methylpropyl)-3H-1,2,4-triazol-3-one
- CAS No.:
106461-41-0
- Molecular Structure:
![Molecular Structure of 106461-41-0 (3H-1,2,4-Triazol-3-one,2,4-dihydro-4-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]-2-(1-methylpropyl)-)](http://www.lookchem.com/300w/2010/072/106461-41-0.jpg)
- Formula:
- C22H27N5O2
- Molecular Weight:
- 393.48
- Density:
- 1.25 g/cm3
- Boiling Point:
- 587.9 °C at 760 mmHg
- Flash Point:
- 309.4 °C
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Chemistry
Following is the structure of 2,4-Dihydro-4-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]-2-(1-methylpropyl)-3H-1,2,4-triazol-3-one (CAS NO.106461-41-0):
Empirical Formula: C22H27N5O2
Molecular Weight: 393.4821 g/mol
Molar Refractivity: 113.95 cm3
Molar Volume: 313.2 cm3
Density: 1.25 g/cm3
Flash Point: 309.4 °C
Index of Refraction: 1.647
Surface Tension: 51 dyne/cm
Enthalpy of Vaporization: 91.02 kJ/mol
Boiling Point: 587.9 °C at 760 mmHg
Vapour Pressure: 2.03E-14 mmHg at 25 °C
Product Categories of 2,4-Dihydro-4-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]-2-(1-methylpropyl)-3H-1,2,4-triazol-3-one (CAS NO.106461-41-0): Intermediates & Fine Chemicals; Pharmaceuticals
Appearance of 2,4-Dihydro-4-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]-2-(1-methylpropyl)-3H-1,2,4-triazol-3-one (CAS NO.106461-41-0): Light Grey Powder
SMILES: O=C1N(/N=C\N1c4ccc(N3CCN(c2ccc(O)cc2)CC3)cc4)C(C)CC
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
InChIKey: FFAQILVGBAELHN-UHFFFAOYAT
Uses
2,4-Dihydro-4-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]-2-(1-methylpropyl)-3H-1,2,4-triazol-3-one (CAS NO.106461-41-0) can be used as an intermediate in the synthesis of Itraconazole .
Specification
2,4-Dihydro-4-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]-2-(1-methylpropyl)-3H-1,2,4-triazol-3-one , its cas register number is 106461-41-0. It also can be called 2-(Butan-2-yl)-4-{4-[4-(4-hydroxyphenyl)piperazin-1-yl]phenyl}-2,4-dihydro-3H-1,2,4-triazol-3-on ; 2-(Butan-2-yl)-4-{4-[4-(4-Hydroxyphenyl)piperazin-1-yl]phenyl}-2,4-dihydro-3H-1,2,4-triazol-3-one ; 2-sec-Butyl-4-{4-[4-(4-Hydroxyphenyl)-1-piperazinyl]phenyl}-2,4-dihydro-3H-1,2,4-triazol-3-one ; 2-sec-Butyl-4-{4-[4-(4-Hydroxyphenyl)piperazin-1-yl]phenyl}-2,4-dihydro-3H-1,2,4-triazol-3-one ; and 3H-1,2,4-Triazol-3-one, 2,4-dihydro-4-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]-2-(1-methylpropyl)- .
