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24544-08-9

Basic Information
CAS No.: 24544-08-9
Name: 2,6-Diethyl-4-methylaniline
Article Data: 6
Molecular Structure:
Molecular Structure of 24544-08-9 (2,6-Diethyl-4-methylaniline)
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
Synthetic route
64-17-5

ethanol

540-23-8

p-toluidine hydrochloride

24544-08-9

2,6-diethyl-4-methylaniline

Conditions
ConditionsYield
at 300℃;
106-49-0

p-toluidine

7429-90-5

aluminium

24544-08-9

2,6-diethyl-4-methylaniline

Conditions
ConditionsYield
aluminium trichloride In water
24544-08-9

2,6-diethyl-4-methylaniline

26250-84-0

(S)-(-)-1-(tert-butoxycarbonyl)-2-piperidinecarboxylic acid

1526920-89-7

C22H34N2O3

Conditions
ConditionsYield
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%
24544-08-9

2,6-diethyl-4-methylaniline

314084-61-2

1-bromo-2,6-diethyl-4-methylbenzene

Conditions
ConditionsYield
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%
24544-08-9

2,6-diethyl-4-methylaniline

105-53-3

diethyl malonate

328932-70-3

2-(2,6-diethyl-4-methylphenyl)malonic acid diethyl ester

Conditions
ConditionsYield
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%
24544-08-9

2,6-diethyl-4-methylaniline

2-chloro-1,3-diethyl-5-methylbenzene

Conditions
ConditionsYield
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;

cobalt(II) chloride hexahydrate

24544-08-9

2,6-diethyl-4-methylaniline

96413-30-8

α,α′-dioxo-2,3:5,6-bis(hexamethylene)pyridine

C39H51Cl2CoN3

Conditions
ConditionsYield
With acetic acid for 12h; Reflux;90%
With acetic anhydride at 130℃; for 12h;90%
24544-08-9

2,6-diethyl-4-methylaniline

C11H16NO3S(1-)*Na(1+)

77545-45-0

3’,6’-dichlorospiro[3H-2,1-benzoxathiol-3,9’-[9H]xanthene]-1,1-dioxide

C41H41N2O7S2(1-)*Na(1+)

Conditions
ConditionsYield
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%

iron(II) chloride tetrahydrate

24544-08-9

2,6-diethyl-4-methylaniline

96413-30-8

α,α′-dioxo-2,3:5,6-bis(hexamethylene)pyridine

[2,3:5,6-{C5H10C(N-4-Me-2,6-Et2C6H2)}2C5HN]FeCl2

Conditions
ConditionsYield
With acetic anhydride at 130℃; for 12h;87%
In acetic acid for 12h; Inert atmosphere; Schlenk technique; Reflux;75%
1433897-26-7

6-(2,4,6-triisopropylphenyl)-2-pyridinecarboxaldehyde

24544-08-9

2,6-diethyl-4-methylaniline

(E)-N-(2,6-diethyl-4-methylphenyl)-1-(6-(2,4,6-triisopropylphenyl)pyridin-2-yl)methanimine

Conditions
ConditionsYield
With formic acid In methanol at 60℃; for 24h; Schlenk technique; Inert atmosphere; Sealed tube;87%
Downstream Products
32724-62-2
314084-61-2
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Specification

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