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CAS No.: | 56038-89-2 |
---|---|
Name: | N-(1-Ethylpropyl)-3,4-dimethylaniline |
Article Data: | 5 |
Molecular Structure: | |
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 |
3,4-dimethyliodobenzene
3-aminopentane
N-(1-ethylpropyl)-3,4-dimethyl-benzenamine
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% |
4-chloro-1,2-dimethylbenzene
3-aminopentane
N-(1-ethylpropyl)-3,4-dimethyl-benzenamine
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% |
3-aminopentane
3,4-dimethylphenyl trifluoromethanesulfonate
N-(1-ethylpropyl)-3,4-dimethyl-benzenamine
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% |
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; |
Conditions | Yield |
---|---|
With tetrakis(triphenylphosphine) palladium(0); sodium carbonate; caesium carbonate In toluene at 80℃; for 6h; Reagent/catalyst; Buchwald-Hartwig Coupling; | 93.7% |
3,5-Dihydroxybenzoic acid
4-amino-o-xylene
pentan-3-one
N-(1-ethylpropyl)-3,4-dimethyl-benzenamine
Conditions | Yield |
---|---|
platinum | 75.1% |
N-(1-ethylpropyl)-3,4-dimethyl-benzenamine
acetic anhydride
Conditions | Yield |
---|---|
at 110℃; for 5h; | 99.1% |
Conditions | Yield |
---|---|
With potassium hydroxide In acetone for 3h; Reflux; | 94.97% |
Conditions | Yield |
---|---|
With sulfuric acid; nitric acid In water; 1,2-dichloro-ethane |
N-(1-ethylpropyl)-3,4-dimethyl-benzenamine
A
N-(1-Ethylpropyl)-6-nitro-3,4-xylidin
B
N-(1-Ethylpropyl)-2-nitro-3,4-xylidin
Conditions | Yield |
---|---|
With nitric acid at 30℃; |
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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