CAS No.606-46-2,N,N-DIETHYL-O-TOLUIDINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	606-46-2
Name:	N,N-DIETHYL-O-TOLUIDINE
Article Data:	24

Formula:	C₁₁H₁₇N
Molecular Weight:	163.263
Synonyms:	o-Toluidine,N,N-diethyl- (6CI,7CI,8CI);2-(Dimethylamino)toluene;N,N-Diethyl-2-methylaniline;N,N-Diethyl-2-methylbenzenamine;N,N-Diethyl-o-methylaniline;N,N-Diethyl-o-toluidine;NSC 8708;
EINECS:	210-119-1
Density:	0,92 g/cm³
Melting Point:	-60°C
Boiling Point:	227.4 °C at 760 mmHg
Flash Point:	91.2 °C
Solubility:	Soluble in water
Risk Codes:	36/37/38
Safety:	26-36/37/39
PSA:	3.24000
LogP:	2.84120

Synthetic route

: 74-96-4
ethyl bromide

: 95-53-4
o-toluidine

: 606-46-2
N,N-diethyl-o-toluidine

Conditions

Conditions	Yield
With potassium hydroxide In dimethyl sulfoxide at 20 - 50℃;	86%
Stage #1: o-toluidine With potassium hydride In N,N-dimethyl-formamide at 20℃; for 0.25h; Stage #2: ethyl bromide In N,N-dimethyl-formamide at 50℃; for 96h;	15%

: 61582-64-7
N,N-diethyl-O-benzoylhydroxylamine

: 7029-31-4
bis(2-methylphenyl)zinc

: 606-46-2
N,N-diethyl-o-toluidine

Conditions

Conditions	Yield
With copper(I) trifluoromethanesulfonate benzene In tetrahydrofuran at 25℃; for 1h;	80%
With copper (I) trifluoromethane sulfonate benzene In tetrahydrofuran; diethyl ether at 20℃; for 1h;	80%

: 932-31-0
ortho-tolylmagnesium bromide

: 61582-64-7
N,N-diethyl-O-benzoylhydroxylamine

: 606-46-2
N,N-diethyl-o-toluidine

Conditions

Conditions	Yield
With copper dichloride In tetrahydrofuran at 20℃; for 0.25h;	62%

: 95-46-5
2-methylphenyl bromide

: 1066-87-1
(N,N-diethylamino)tributyltin

: 606-46-2
N,N-diethyl-o-toluidine

Conditions

Conditions	Yield
With PdCl2<(oTol)3P>2 In toluene at 100℃; for 3h;	33%

: 64-17-5
ethanol

: 88-72-2
1-methyl-2-nitrobenzene

A: 606-46-2
N,N-diethyl-o-toluidine

B: 95-53-4
o-toluidine

Conditions

Conditions	Yield
With Au NCs/TiO2 for 4h; Kinetics; Reagent/catalyst; Inert atmosphere; UV-irradiation;	A 32.8% B 30.6%

...Expand

: 64-17-5
ethanol

: 5877-55-4, 34143-86-7
N-benzylidene-2-methylaniline

: 606-46-2
N,N-diethyl-o-toluidine

: 64-17-5
ethanol

: 636-21-5
o-toluidine hydrochloride

: 606-46-2
N,N-diethyl-o-toluidine

Conditions

Conditions	Yield
With sodium bromide at 175℃;
With copper dichloride at 175℃;
With calcium chloride at 175℃;
at 175℃;

: 64-67-5
diethyl sulfate

: 95-53-4
o-toluidine

: 606-46-2
N,N-diethyl-o-toluidine

: 95-46-5
2-methylphenyl bromide

: 109-89-7
diethylamine

A: 606-46-2
N,N-diethyl-o-toluidine

B: 91-67-8
N,N-diethyl-m-toluidine

Conditions

Conditions	Yield
(i) NaNH2, NaOtBu, THF, (ii) /BRN= 605268/; Multistep reaction;
With sodium; alloocimene

...Expand

: 83026-63-5
C25H33N3

A: 606-46-2
N,N-diethyl-o-toluidine

B: 83026-64-6
4-(N,N-Diethylamino)-5-methyl-2-pentalendcarbonitril

Conditions

Conditions	Yield
In dichloromethane at 25℃; Yield given. Yields of byproduct given;

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Specification

The Benzenamine,N,N-diethyl-2-methyl-, with CAS registry number 606-46-2, has the systematic name of N,N-diethyl-2-methylaniline. And the chemical formula of this chemical is C₁₁H₁₇N. The main use of this chemical is for organic synthesis. And this chemical can be prepared by o-Toluidine and Ethyl bromide. What's more, its EINECS is 210-119-1.

Physical properties of Benzenamine,N,N-diethyl-2-methyl-: (1)ACD/LogP: 3.85; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.19; (4)ACD/LogD (pH 7.4): 3.63; (5)ACD/BCF (pH 5.5): 10.85; (6)ACD/BCF (pH 7.4): 300.05; (7)ACD/KOC (pH 5.5): 64.7; (8)ACD/KOC (pH 7.4): 1788.79; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 3.24 Å²; (13)Index of Refraction: 1.53; (14)Molar Refractivity: 54.65 cm³; (15)Molar Volume: 176.7 cm³; (16)Polarizability: 21.66×10^-24cm³; (17)Surface Tension: 33.9 dyne/cm; (18)Density: 0.923 g/cm³; (19)Flash Point: 91.2 °C; (20)Enthalpy of Vaporization: 46.39 kJ/mol; (21)Boiling Point: 227.4 °C at 760 mmHg; (22)Vapour Pressure: 0.0778 mmHg at 25°C.

Preparation: this chemical can be prepared by 1-bromo-2-methyl-benzene and Diethylamino-tributylstannan. This reaction will need reagent PdCl₂<(oTol)₃P>₂and solvent toluene. The reaction time is 3 hour(s) with reaction temperature of 100 ℃. The yield is about 33%.

When you are using this chemical, please be cautious about it as the following:
The Benzenamine,N,N-diethyl-2-methyl- irritates to eyes, respiratory system and skin. 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: N(c1ccccc1C)(CC)CC
(2)InChI: InChI=1/C11H17N/c1-4-12(5-2)11-9-7-6-8-10(11)3/h6-9H,4-5H2,1-3H3
(3)InChIKey: YQYUUNRAPYPAPC-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C11H17N/c1-4-12(5-2)11-9-7-6-8-10(11)3/h6-9H,4-5H2,1-3H3
(5)Std. InChIKey: YQYUUNRAPYPAPC-UHFFFAOYSA-N