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Cas Database |
| Name |
Benzenamine,N,N-diethyl-2-methyl- |
EINECS | 210-119-1 |
| CAS No. | 606-46-2 | Density | 0,92 g/cm3 |
| PSA | 3.24000 | LogP | 2.84120 |
| Solubility | Soluble in water | Melting Point |
-60°C |
| Formula | C11H17N | Boiling Point | 227.4 °C at 760 mmHg |
| Molecular Weight | 163.263 | Flash Point | 91.2 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | 26-36/37/39 | Risk Codes | 36/37/38 |
| Molecular Structure |
|
Hazard Symbols | N/A |
| 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; |
Article Data | 24 |
Benzenamine,N,N-diethyl-2-methyl- Synthetic route
| 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 | 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 | Yield |
|---|---|
| With copper dichloride In tetrahydrofuran at 20℃; for 0.25h; | 62% |
| Conditions | Yield |
|---|---|
| With PdCl2<(oTol)3P>2 In toluene at 100℃; for 3h; | 33% |
| Conditions | Yield |
|---|---|
| With Au NCs/TiO2 for 4h; Kinetics; Reagent/catalyst; Inert atmosphere; UV-irradiation; | A 32.8% B 30.6% |
| Conditions | Yield |
|---|---|
| With sodium bromide at 175℃; | |
| With copper dichloride at 175℃; | |
| With calcium chloride at 175℃; | |
| at 175℃; |
- 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 | Yield |
|---|---|
| (i) NaNH2, NaOtBu, THF, (ii) /BRN= 605268/; Multistep reaction; | |
| With sodium; alloocimene |
- 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 | Yield |
|---|---|
| In dichloromethane at 25℃; Yield given. Yields of byproduct given; |
Benzenamine,N,N-diethyl-2-methyl- 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>2 and solvent toluene. The reaction time is 3 hour(s) with reaction temperature of 100 ℃. The yield is about 33%.
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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
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