| Identification | More | [Name]
4-(1H-1,2,4-Triazol-1-ylmethyl)aniline | [CAS]
119192-10-8 | [Synonyms]
1-(4-AMINOPHENYL)METHYL-1,2,4-TRIAZOLE
4-[1,2,4]TRIAZOL-1-YLMETHYLPHENYLAMINE
4-(1H-1,2,4-TRIAZOL-1-YLMETHYL)ANILINE
4-(1H-1,2,4-TRIAZOL-1-YL-METHYL)BENZENAMINE
4-[1H-1,2,4-TRIAZOL-1-YL METHYL] BENZENEAMINE
4-(1H-1,2,4-TRIAZOL-1-YLMETHYL)PHENYLAMINE
AKOS B030090
4-(1H-1,2,4-TRIZOL-YL-METHYL)-ANILINE
4-(1 2 4-TRIAZOL-1-YLMETHYL)ANILINE
4-(1H-1,2,4-TRIZOL-1-YL-METHYL)-BENZENAMINE
1-(4-Aminobenzyl)-1,2,4-triazole
1-(4-Aminobenzyl)-1H-1,2,4-triazole
4-(1H-1,2,4-Triazol-1-ylmethyl)aniline 97%
4-(1H-1,2,4-triazol-1-ylmethyl)-benzenamine( For Rizatriptan )
4-[1H-1,2,4-TRIAZOLE-1-YL METHYL]BENZENE AMINE (FOR RIZATRIPTAN)
1-(4-Aminophenyl)methyl-1,2,4-Triazole see also 4-(1H-1,2,4-Triazol-1-yl-Methyl)Benzenamine
1-(4-AMINOBENZYL)-1,2,4-TRIAZOL
Benzenamine, 4-(1H-1,2,4-triazol-1-ylmethyl) | [EINECS(EC#)]
601-588-7 | [Molecular Formula]
C9H10N4 | [MDL Number]
MFCD00973306 | [Molecular Weight]
174.2 | [MOL File]
119192-10-8.mol |
| Chemical Properties | Back Directory | [Appearance]
Brown Solid | [Melting point ]
124 °C | [Boiling point ]
402.1±47.0 °C(Predicted) | [density ]
1.26±0.1 g/cm3(Predicted) | [storage temp. ]
-20°C Freezer | [solubility ]
Chloroform (Slightly), Methanol (Slightly) | [form ]
Powder | [pka]
4.42±0.10(Predicted) | [color ]
White to pale yellow | [InChI]
InChI=1S/C9H10N4/c10-9-3-1-8(2-4-9)5-13-7-11-6-12-13/h1-4,6-7H,5,10H2 | [InChIKey]
ZGLQVRIVLWGDNA-UHFFFAOYSA-N | [SMILES]
C1(N)=CC=C(CN2C=NC=N2)C=C1 | [CAS DataBase Reference]
119192-10-8(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xn,Xi | [Risk Statements ]
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S22:Do not breathe dust .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection . | [HazardClass ]
6.1 | [HazardClass ]
IRRITANT | [HS Code ]
2933998090 |
| Hazard Information | Back Directory | [Chemical Properties]
Brown Solid | [Uses]
Rizatriptan intermediate | [Synthesis]
General procedure for the synthesis of 4-[1H-1,2,4-triazol-1-ylmethyl]aniline from 1-(4-nitrophenyl)methyl-1,2,4-triazole: 1-(4-nitrophenyl)methyl-1,2,4-triazole (10.0 g, 49 mmol) was dissolved in a mixed solvent of ethanol (50 ml) and ethyl acetate (50 ml), 5N HCl (10 ml) and water (1 g). The hydrogenation reaction was carried out in a Parr hydrogenation unit at 40 psi hydrogen pressure using 10% Pd/C catalyst (1.0 g) until the hydrogen uptake reached 188 psi (about 10 min). Upon completion of the reaction, the catalyst was removed by Hyflo filtration and the solvent was removed by concentration under vacuum. The residue was azeotroped twice with ethanol to afford the target product 1-(4-aminophenyl)methyl-1,2,4-triazole hydrochloride (10.6 g, 100%). The product was confirmed by NMR hydrogen spectrum (360 MHz, D2O): δ 5.53 (2H, s, CH2), 7.37-7.48 (4H, m, Ar-H), 8.12 (1H, s, Ar-H), 8.66 (1H, s, Ar-H). | [References]
[1] Patent: US5567726, 1996, A
[2] Patent: US5298520, 1994, A
[3] Farmaco, 1989, vol. 44, # 9, p. 831 - 841
[4] European Journal of Medicinal Chemistry, 1989, vol. 24, # 5, p. 537 - 540
[5] Patent: US5567819, 1996, A |
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