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CAS No.: | 24544-08-9 |
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Name: | 2,6-Diethyl-4-methylaniline |
Article Data: | 6 |
Molecular Structure: | |
Formula: | C11H17N |
Molecular Weight: | 163.263 |
Synonyms: | p-Toluidine,2,6-diethyl- (8CI);2,6-Diethyl-4-methylaniline;2,6-Diethyl-p-toluidine;4-Methyl-2,6-diethylaniline;NSC 203033; |
EINECS: | 246-307-5 |
Density: | 0.94 g/cm3 |
Boiling Point: | 259.058 °C at 760 mmHg |
Flash Point: | 111.736 °C |
Solubility: | 570mg/L at 20℃ |
Appearance: | Colourless to yellowish liquid |
Risk Codes: | 20/21/22-36/37/38 |
Safety: | 26-36/37/39 |
PSA: | 26.02000 |
LogP: | 3.28320 |
Conditions | Yield |
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at 300℃; |
Conditions | Yield |
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aluminium trichloride In water |
2,6-diethyl-4-methylaniline
(S)-(-)-1-(tert-butoxycarbonyl)-2-piperidinecarboxylic acid
C22H34N2O3
Conditions | Yield |
---|---|
Stage #1: (S)-(-)-1-(tert-butoxycarbonyl)-2-piperidinecarboxylic acid With triethylamine; isobutyl chloroformate In dichloromethane at 0℃; for 0.5h; Stage #2: 2,6-diethyl-4-methylaniline In dichloromethane at 0 - 20℃; for 24h; | 99% |
2,6-diethyl-4-methylaniline
1-bromo-2,6-diethyl-4-methylbenzene
Conditions | Yield |
---|---|
Stage #1: 2,6-diethyl-4-methylaniline With hydrogen bromide at 10℃; for 0.5h; Stage #2: With sodium nitrite at -5 - 0℃; for 2.5h; Stage #3: With ferrous(II) sulfate heptahydrate; hydrogen bromide; sodium bromide In water at 65 - 75℃; for 0.5h; Reagent/catalyst; | 95% |
Stage #1: 2,6-diethyl-4-methylaniline With hydrogen bromide In water at 80℃; for 1.5h; Stage #2: With sodium nitrite In water at -10 - -5℃; for 2h; Stage #3: With ferrous(II) sulfate heptahydrate; hydrogen bromide In water at 80℃; for 2h; | 94.66% |
Stage #1: 2,6-diethyl-4-methylaniline With hydrogen bromide; sodium nitrite In water at 0 - 5℃; for 0.5h; Stage #2: With copper(I) bromide at 5 - 60℃; for 4h; | 89.2% |
2,6-diethyl-4-methylaniline
diethyl malonate
2-(2,6-diethyl-4-methylphenyl)malonic acid diethyl ester
Conditions | Yield |
---|---|
Stage #1: 2,6-diethyl-4-methylaniline With copper(l) iodide; isopentyl nitrite In tetrahydrofuran at 5 - 10℃; for 2h; Stage #2: diethyl malonate With potassium tert-butylate In tetrahydrofuran; N,N-dimethyl-formamide at 0 - 20℃; for 2.5h; Reagent/catalyst; | 92% |
2,6-diethyl-4-methylaniline
Conditions | Yield |
---|---|
Stage #1: 2,6-diethyl-4-methylaniline With hydrogenchloride In 1,2-dichloro-benzene at 45 - 70℃; Stage #2: With hydrogenchloride; isopentyl nitrite In 1,2-dichloro-benzene at 45 - 50℃; for 2h; | 90% |
Stage #1: 2,6-diethyl-4-methylaniline With hydrogenchloride In water at 50℃; Sandmeyer Reaction; Stage #2: With sodium nitrite In water at -10 - -5℃; for 1h; Sandmeyer Reaction; Stage #3: With hydrogenchloride; iron(III) chloride In water at -10 - 65℃; for 1.5h; Product distribution / selectivity; Sandmeyer Reaction; |
2,6-diethyl-4-methylaniline
α,α′-dioxo-2,3:5,6-bis(hexamethylene)pyridine
Conditions | Yield |
---|---|
With acetic acid for 12h; Reflux; | 90% |
With acetic anhydride at 130℃; for 12h; | 90% |
2,6-diethyl-4-methylaniline
3’,6’-dichlorospiro[3H-2,1-benzoxathiol-3,9’-[9H]xanthene]-1,1-dioxide
Conditions | Yield |
---|---|
Stage #1: C11H16NO3S(1-)*Na(1+); 3’,6’-dichlorospiro[3H-2,1-benzoxathiol-3,9’-[9H]xanthene]-1,1-dioxide With 1,8-diazabicyclo[5.4.0]undec-7-ene; magnesium bromide In ethylene glycol at 120℃; for 2h; Stage #2: 2,6-diethyl-4-methylaniline In ethylene glycol at 180℃; for 18h; Reagent/catalyst; | 88% |
2,6-diethyl-4-methylaniline
α,α′-dioxo-2,3:5,6-bis(hexamethylene)pyridine
Conditions | Yield |
---|---|
With acetic anhydride at 130℃; for 12h; | 87% |
In acetic acid for 12h; Inert atmosphere; Schlenk technique; Reflux; | 75% |
6-(2,4,6-triisopropylphenyl)-2-pyridinecarboxaldehyde
2,6-diethyl-4-methylaniline
Conditions | Yield |
---|---|
With formic acid In methanol at 60℃; for 24h; Schlenk technique; Inert atmosphere; Sealed tube; | 87% |
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The Benzenamine,2,6-diethyl-4-methyl-, with CAS registry number 24544-08-9, belongs to the following product categories: (1)Intermediates of Dyes and Pigments; (2)O-alkylated Anilines; (3)Aniline Derivatives. It has the systematic name of 2,6-diethyl-4-methylaniline. This chemical is a kind of colourless to yellowish liquid. What's more, its EINECS is 246-307-5.
Physical properties of Benzenamine,2,6-diethyl-4-methyl-: (1)ACD/LogP: 3.38; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.33; (4)ACD/LogD (pH 7.4): 3.38; (5)ACD/BCF (pH 5.5): 195.35; (6)ACD/BCF (pH 7.4): 217.55; (7)ACD/KOC (pH 5.5): 1471.97; (8)ACD/KOC (pH 7.4): 1639.26; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 3.24 Å2; (13)Index of Refraction: 1.539; (14)Molar Refractivity: 54.41 cm3; (15)Molar Volume: 173.6 cm3; (16)Polarizability: 21.57×10-24cm3; (17)Surface Tension: 35.5 dyne/cm; (18)Enthalpy of Vaporization: 49.67 kJ/mol; (19)Vapour Pressure: 0.0132 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
The Benzenamine,2,6-diethyl-4-methyl- irritates to eyes, respiratory system and skin. This chemical is also harmful by inhalation, in contact with skin and if swallowed. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: Nc1c(cc(cc1CC)C)CC
(2)InChI: InChI=1/C11H17N/c1-4-9-6-8(3)7-10(5-2)11(9)12/h6-7H,4-5,12H2,1-3H3
(3)InChIKey: OIXUMNZGNCAOKY-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C11H17N/c1-4-9-6-8(3)7-10(5-2)11(9)12/h6-7H,4-5,12H2,1-3H3
(5)Std. InChIKey: OIXUMNZGNCAOKY-UHFFFAOYSA-N