CAS No.56038-89-2,N-(1-Ethylpropyl)-3,4-dimethylaniline Suppliers

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Basic Information

Molecular Structure:
CAS No.:	56038-89-2
Name:	N-(1-Ethylpropyl)-3,4-dimethylaniline
Article Data:	5

Formula:	C₁₃H₂₁N
Molecular Weight:	191.316
Synonyms:	N-(1-Ethylpropyl)-3,4-dimethylaniline;N-(1-Ethylpropyl)-3,4-xylidine;
Density:	0.92 g/cm³
Boiling Point:	290.2 °C at 760 mmHg
Flash Point:	129 °C
Appearance:	Red-brown to brown liquid
PSA:	12.03000
LogP:	3.97690

Synthetic route

: 31599-61-8
3,4-dimethyliodobenzene

: 616-24-0
3-aminopentane

: 56038-89-2
N-(1-ethylpropyl)-3,4-dimethyl-benzenamine

Conditions

Conditions	Yield
With bis-triphenylphosphine-palladium(II) chloride; palladium diacetate; sodium carbonate; sodium t-butanolate In 5,5-dimethyl-1,3-cyclohexadiene at 90℃; for 6h; Reagent/catalyst; Temperature; Buchwald-Hartwig Coupling;	99.5%

: 615-60-1
4-chloro-1,2-dimethylbenzene

: 616-24-0
3-aminopentane

: 56038-89-2
N-(1-ethylpropyl)-3,4-dimethyl-benzenamine

Conditions

Conditions	Yield
With bis-triphenylphosphine-palladium(II) chloride; palladium diacetate; sodium carbonate; sodium t-butanolate In toluene at 80℃; for 6h; Temperature; Reagent/catalyst; Buchwald-Hartwig Coupling;	98.9%

: 616-24-0
3-aminopentane

: 255837-23-1
3,4-dimethylphenyl trifluoromethanesulfonate

: 56038-89-2
N-(1-ethylpropyl)-3,4-dimethyl-benzenamine

Conditions

Conditions	Yield
With bis-triphenylphosphine-palladium(II) chloride; palladium diacetate; sodium carbonate; sodium t-butanolate In toluene at 90℃; for 6h; Reagent/catalyst; Buchwald-Hartwig Coupling;	98.4%

: 95-64-7
4-amino-o-xylene

: 96-22-0
pentan-3-one

: 56038-89-2
N-(1-ethylpropyl)-3,4-dimethyl-benzenamine

Conditions

Conditions	Yield
platinum	95.4%
With naphthalene-2-sulfonate; platinum on carbon; hydrogen at 60 - 70℃; under 3750.38 - 7500.75 Torr; for 1h; Autoclave; Inert atmosphere;

: 583-71-1
4-bromo-o-xylene

: 616-24-0
3-aminopentane

: 56038-89-2
N-(1-ethylpropyl)-3,4-dimethyl-benzenamine

Conditions

Conditions	Yield
With tetrakis(triphenylphosphine) palladium(0); sodium carbonate; caesium carbonate In toluene at 80℃; for 6h; Reagent/catalyst; Buchwald-Hartwig Coupling;	93.7%

: 99-10-5
3,5-Dihydroxybenzoic acid

: 95-64-7
4-amino-o-xylene

: 96-22-0
pentan-3-one

: 56038-89-2
N-(1-ethylpropyl)-3,4-dimethyl-benzenamine

Conditions

Conditions	Yield
platinum	75.1%

...Expand

: 56038-89-2
N-(1-ethylpropyl)-3,4-dimethyl-benzenamine

: 108-24-7
acetic anhydride

: N-(1-ethylpropyl)-N-(3,4-dimethylphenyl)acetamide

Conditions

Conditions	Yield
at 110℃; for 5h;	99.1%

: 2969-81-5
4-bromoethylbutanoate

: 56038-89-2
N-(1-ethylpropyl)-3,4-dimethyl-benzenamine

: C19H31NO2

Conditions

Conditions	Yield
With potassium hydroxide In acetone for 3h; Reflux;	94.97%

: 56038-89-2
N-(1-ethylpropyl)-3,4-dimethyl-benzenamine

: 108-90-7
chlorobenzene

: 40487-42-1
prowl

Conditions

Conditions	Yield
With sulfuric acid; nitric acid In water; 1,2-dichloro-ethane

: 56038-89-2
N-(1-ethylpropyl)-3,4-dimethyl-benzenamine

A: 56038-88-1
N-(1-Ethylpropyl)-6-nitro-3,4-xylidin

B: 56038-87-0
N-(1-Ethylpropyl)-2-nitro-3,4-xylidin

Conditions

Conditions	Yield
With nitric acid at 30℃;

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Specification

The CAS register number of N-(1-Ethylpropyl)-3,4-dimethylaniline is 56038-89-2. It also can be called as Benzenamine,N-(1-ethylpropyl)-3,4-dimethyl- and the IUPAC name about this chemical is 3,4-dimethyl-N-pentan-3-ylaniline. The molecular formula about this chemical is C₁₃H₂₁N and molecular weight is 191.31.

Physical properties about N-(1-Ethylpropyl)-3,4-dimethylaniline are: (1)ACD/LogP: 4.46; (2)ACD/LogD (pH 5.5): 3.76; (3)ACD/LogD (pH 7.4): 4.44; (4)ACD/BCF (pH 5.5): 286.03; (5)ACD/BCF (pH 7.4): 1366.22; (6)ACD/KOC (pH 5.5): 1261.02; (7)ACD/KOC (pH 7.4): 6023.26; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 3.24Å²; (12)Index of Refraction: 1.528; (13)Molar Refractivity: 64 cm³; (14)Molar Volume: 207.8 cm³; (15)Polarizability: 25.37x10^-24cm³; (16)Surface Tension: 32.9 dyne/cm; (17)Enthalpy of Vaporization: 52.95 kJ/mol; (18)Boiling Point: 290.2 °C at 760 mmHg; (19)Vapour Pressure: 0.0021 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: N(c1cc(c(cc1)C)C)C(CC)CC
(2)InChI: InChI=1/C13H21N/c1-5-12(6-2)14-13-8-7-10(3)11(4)9-13/h7-9,12,14H,5-6H2,1-4H3
(3)InChIKey: ZOTRFGNOTDLOAU-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C13H21N/c1-5-12(6-2)14-13-8-7-10(3)11(4)9-13/h7-9,12,14H,5-6H2,1-4H3
(5)Std. InChIKey: ZOTRFGNOTDLOAU-UHFFFAOYSA-N