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54464-13-0

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Basic Information
CAS No.: 54464-13-0
Name: 5-(4-Bromophenyl)-4H-1,2,4-triazol-3-amine
Article Data: 6
Molecular Structure:
Molecular Structure of 54464-13-0 (5-(4-Bromophenyl)-4H-1,2,4-triazol-3-amine)
Formula: C8H7 Br N4
Molecular Weight: 239.074
Synonyms: 1H-1,2,4-Triazol-3-amine,5-(4-bromophenyl)- (9CI); s-Triazole, 3-amino-5-(p-bromophenyl)- (6CI,7CI)
Density: 1.732
Boiling Point: 452.3°C at 760 mmHg
Flash Point: 227.3°C
PSA: 68.32000
LogP: 1.74650
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5-(4-bromo-phenyl)-1H-[1,2,4]triazol-3-ylamine

Conditions
ConditionsYield
With sodium methylate In methanol for 18h; Heating;
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4-bromobenzoic acid hydrazide

54464-13-0

5-(4-bromo-phenyl)-1H-[1,2,4]triazol-3-ylamine

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: sodium hydroxide / 72 h / 20 °C
2: water / 180 °C / Microwave irradiation
View Scheme
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4-chlorobenzoyl chloride

54464-13-0

5-(4-bromo-phenyl)-1H-[1,2,4]triazol-3-ylamine

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: sodium hydroxide / 0.33 h / 180 °C
2: water / 180 °C / Microwave irradiation
View Scheme
Multi-step reaction with 2 steps
1: pyridine / 12.5 h / 0 - 20 °C / Inert atmosphere
2: water / 0.2 h / 25 - 100 °C / Microwave irradiation; Inert atmosphere
View Scheme
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C8H9BrN4O

54464-13-0

5-(4-bromo-phenyl)-1H-[1,2,4]triazol-3-ylamine

Conditions
ConditionsYield
In water at 180℃; Microwave irradiation;
In water at 25 - 100℃; for 0.2h; Microwave irradiation; Inert atmosphere;
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3,4,5-Trimethoxybenzoyl chloride

54464-13-0

5-(4-bromo-phenyl)-1H-[1,2,4]triazol-3-ylamine

(5-amino-3-(4-bromophenyl)-1H-1,2,4-triazol-1-yl)(3,4,5-trimethoxyphenyl)methanone

Conditions
ConditionsYield
With pyridine at -5 - 20℃; Inert atmosphere;59%
54464-13-0

5-(4-bromo-phenyl)-1H-[1,2,4]triazol-3-ylamine

5-(4-Bromo-phenyl)-3-nitro-1H-[1,2,4]triazole

Conditions
ConditionsYield
With sulfuric acid; water; sodium nitrite In acetic acid at 50 - 70℃; for 1h;27%
54464-13-0

5-(4-bromo-phenyl)-1H-[1,2,4]triazol-3-ylamine

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methyl thioisocyanate

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5-amino-3-(4-bromophenyl)-1-[methylamino(thiocarbonyl)]-1H-1,2,4-triazole

Conditions
ConditionsYield
With sodium hydroxide In tetrahydrofuran for 1h; Ambient temperature;17%
54464-13-0

5-(4-bromo-phenyl)-1H-[1,2,4]triazol-3-ylamine

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Ethoxycarbonyl isothiocyanate

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C12H12BrN5O2S

Conditions
ConditionsYield
In N,N-dimethyl-formamide at 20℃;
54464-13-0

5-(4-bromo-phenyl)-1H-[1,2,4]triazol-3-ylamine

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2-(4-bromophenyl)-5-thioxo-5,6-dihydro-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7(4H)-one

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: N,N-dimethyl-formamide / 20 °C
2: sodium hydroxide / ethanol; water / 0.33 h / 100 °C
View Scheme
Multi-step reaction with 2 steps
1: N,N-dimethyl-formamide / 5 h / 20 °C
2: sodium hydroxide / ethanol; water / 0.33 h / 100 °C
View Scheme

ethoxycarbonyl isothiocyanate

54464-13-0

5-(4-bromo-phenyl)-1H-[1,2,4]triazol-3-ylamine

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C12H12BrN5O2S

Conditions
ConditionsYield
In N,N-dimethyl-formamide at 20℃; for 5h;
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