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CAS No.: | 641571-11-1 |
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Name: | 3-(4-Methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)aniline |
Article Data: | 49 |
Molecular Structure: | |
Formula: | C11H10F3N3 |
Molecular Weight: | 241.216 |
Synonyms: | 1-(3-Amino-5-trifluoromethylphenyl)-4-methyl-1H-imidazole; |
EINECS: | 688-269-6 |
Density: | 1.35 g/cm3 |
Melting Point: | 124-126°C |
Boiling Point: | 379.805 °C at 760 mmHg |
Flash Point: | 183.5 °C |
Solubility: | 228.6mg/L at 25℃ |
Risk Codes: | 41 |
Safety: | 26-39 |
PSA: | 43.84000 |
LogP: | 3.36290 |
4-methyl-1H-imidazole
[3-bromo-5-(trifluoromethyl)phenyl]amine
3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)aniline
Conditions | Yield |
---|---|
With copper(l) iodide; (+)-D-glucosamine hydrochloride; caesium carbonate In water; dimethyl sulfoxide at 90℃; for 12h; Temperature; Concentration; | 96.18% |
With potassium phosphate; tris-(dibenzylideneacetone)dipalladium(0) In toluene; tert-butyl alcohol at 120℃; for 8h; Inert atmosphere; | 91% |
With copper(l) iodide; 1-(5,6,7,8-tetrahydroquinolin-8-yl)ethan-1-one; caesium carbonate In N,N-dimethyl-formamide at 110℃; for 18h; Inert atmosphere; Sealed tube; | 91% |
3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)aniline
Conditions | Yield |
---|---|
With sodium hydroxide In m-xylene; isopropyl alcohol for 25h; Reflux; | 92.8% |
4-methyl-1-(3-nitro-5-(trifluoromethyl)phenyl)-1H-imidazole
3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)aniline
Conditions | Yield |
---|---|
With iron(III) chloride; hydrazine hydrate; pyrographite In ethanol at 50 - 60℃; Reagent/catalyst; Temperature; | 91.3% |
With palladium In methanol at 25℃; for 5h; | 86% |
With palladium on activated charcoal; hydrogen In methanol at 25℃; for 5h; | 86% |
3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)aniline
Conditions | Yield |
---|---|
Stage #1: 3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)benzohydrazide With sulfuric acid; sodium nitrite In methanol at 15 - 25℃; for 0.416667h; Stage #2: In methanol at 55 - 75℃; for 0.416667h; Concentration; Reagent/catalyst; Temperature; | 90% |
N-(3-amino-5-(trifluoromethyl)phenyl)acetamide
formaldehyd
2-oxopropanal
3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)aniline
Conditions | Yield |
---|---|
Stage #1: N-(3-amino-5-(trifluoromethyl)phenyl)acetamide With ammonium chloride In ethanol; acetone at 0 - 20℃; Stage #2: formaldehyd; 2-oxopropanal In ethanol; water; acetone at 65 - 70℃; | 85.4% |
3-(4-methyl-imidazol-1-yl)-5-trifluoromethylbenzoic acid
tert-butyl alcohol
3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)aniline
Conditions | Yield |
---|---|
Stage #1: 3-(4-methyl-imidazol-1-yl)-5-trifluoromethylbenzoic acid; tert-butyl alcohol With diphenyl phosphoryl azide; triethylamine for 16h; Reflux; Stage #2: With sodium hydroxide In propan-1-ol; para-xylene; water for 30h; Solvent; Reagent/catalyst; Reflux; | 79.5% |
3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)aniline
Conditions | Yield |
---|---|
With trifluoroacetic acid at 20 - 25℃; for 2h; Reagent/catalyst; Temperature; | 78% |
4-methyl-1H-imidazole
3-iodo-5-trifluoromethylaniline
A
3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)aniline
Conditions | Yield |
---|---|
With potassium phosphate at 110℃; for 30h; Reagent/catalyst; | A 65.2% B n/a |
4-methyl-1H-imidazole
[3-bromo-5-(trifluoromethyl)phenyl]amine
A
3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)aniline
Conditions | Yield |
---|---|
With copper(l) iodide; caesium carbonate; rac-diaminocyclohexane In diethylene glycol dimethyl ether at 24℃; for 24h; Reagent/catalyst; Inert atmosphere; | A 64.9% B n/a |
With copper(I) oxide; potassium phosphate; N1,N2-bis(furan-2-ylmethyl)oxalamide In dimethyl sulfoxide at 120℃; for 24h; Overall yield = 89 %; |
3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)aniline hydrochloride
3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)aniline
Conditions | Yield |
---|---|
With potassium hydrogencarbonate In ethanol; water at 0 - 45℃; for 3.5h; Product distribution / selectivity; | 32.8% |
With potassium hydrogencarbonate In methanol; water at 20 - 40℃; for 3h; Product distribution / selectivity; |
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Molecular Structure of 3-(4-Methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)aniline (CAS NO.641571-11-1):
Molecular Formula:C11H10F3N3
Molecular Weight: 241.21
H bond acceptors: 3
H bond donors: 2
Freely Rotating Bonds: 2
Polar Surface Area: 43.84 Å2
Molar Refractivity: 57.024 cm3
Molar Volume: 178.191 cm3
Index of Refraction: 1.553
Surface Tension: 36.64 dyne/cm
Density: 1.354 g/cm3
Flash Point: 183.5 °C
Enthalpy of Vaporization: 62.787 kJ/mol
Boiling Point: 379.805 °C at 760 mmHg
Vapour Pressure: 0 mmHg at 25°C
Density:1.35g/cm3
SMILES: FC(F)(F)c1cc(cc(c1)n2cc(nc2)C)N
InChI: InChI=1/C11H10F3N3/c1-7-5-17(6-16-7)10-3-8(11(12,13)14)2-9(15)4-10/h2-6H,15H2,1H3
3-(4-Methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)aniline , its cas register number is 641571-11-1. It also can be called 1-(3-Amino-5-trifluoromethylphenyl)-4-methylimidazole ; 4-methyl-1H-imidazol-1-yl)-3-(trifluoromethyl) benzene amine ; 3-(4-Methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)aniline ; benzenamine, 3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)- .