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CAS No.: | 101-98-4 |
---|---|
Name: | N-Benzyl-N-methylethanolamine |
Article Data: | 41 |
Molecular Structure: | |
Formula: | C10H15NO |
Molecular Weight: | 165.235 |
Synonyms: | Ethanol,2-(benzylmethylamino)- (6CI,7CI,8CI);2-(Benzylmethylamino)ethanol;2-(N-Methylbenzylamino)ethanol;2-(N-benzyl-N-methylamino)ethanol;2-[Methyl(phenylmethyl)amino]ethanol;Benzyl(2-hydroxyethyl)methylamine;N-Benzyl-N-methyl(2-hydroxyethyl)amine;N-Benzyl-N-methyl-2-aminoethanol;N-Methyl-N-benzylethanolamine;b-(N-Benzyl-N-methylamino)ethanol;N-Benzyl-N-methylethanolamine; |
EINECS: | 202-994-3 |
Density: | 1.033 g/cm3 |
Boiling Point: | 256.532 °C at 760 mmHg |
Flash Point: | 87.299 °C |
Appearance: | clear yellowish liquid |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-37/39-24/25 |
PSA: | 23.47000 |
LogP: | 1.11070 |
Conditions | Yield |
---|---|
In acetonitrile Heating; | 100% |
With potassium carbonate; potassium iodide In acetonitrile for 48h; Heating / reflux; | 63% |
With toluene | |
at 110℃; im Rohr; |
(2-hydroxyethyl)(methyl)amine
benzoyl chloride
2-(N-benzyl-N-methyl)amino-1-ethanol
Conditions | Yield |
---|---|
Stage #1: (2-hydroxyethyl)(methyl)amine; benzoyl chloride With sodium hydrogencarbonate In tetrahydrofuran at 0 - 20℃; Stage #2: With lithium aluminium tetrahydride In tetrahydrofuran at 0 - 20℃; Further stages.; | 98% |
(2-hydroxyethyl)(methyl)amine
benzyl chloride
2-(N-benzyl-N-methyl)amino-1-ethanol
Conditions | Yield |
---|---|
With triethylamine In acetonitrile at 0 - 20℃; for 1h; | 95.5% |
With triethylamine In acetonitrile at 0 - 20℃; for 1h; | 95.5% |
With tetrabutylammomium bromide; triethylamine In benzene for 48h; Heating; | 79% |
(2-hydroxyethyl)(methyl)amine
benzyl bromide
2-(N-benzyl-N-methyl)amino-1-ethanol
Conditions | Yield |
---|---|
With triethylamine In acetonitrile at 0 - 20℃; for 1.5h; | 90% |
Conditions | Yield |
---|---|
With 5percent silver supported on titanium oxide at 25℃; for 10h; Inert atmosphere; Sealed tube; UV-irradiation; | 87% |
(2-hydroxyethyl)(methyl)amine
benzaldehyde
2-(N-benzyl-N-methyl)amino-1-ethanol
Conditions | Yield |
---|---|
Stage #1: (2-hydroxyethyl)(methyl)amine; benzaldehyde With titanium(IV) isopropylate In ethanol at 20℃; for 6h; Inert atmosphere; Stage #2: With sodium tetrahydroborate In ethanol at 20℃; Inert atmosphere; Cooling with ice; | 86% |
Conditions | Yield |
---|---|
With formic acid In methanol for 20h; Heating; | 84% |
With formic acid In water at 105℃; Eschweiler-Clarke Methylation; | 61% |
With formic acid |
2-(N-benzyl-N-methyl)amino-1-ethanol
Conditions | Yield |
---|---|
With tris(bis(trimethylsilyl)amido)lanthanum(III); water In dichloromethane at 20℃; for 1h; Inert atmosphere; | 70% |
Conditions | Yield |
---|---|
With potassium carbonate In N,N-dimethyl-formamide at 60℃; for 9h; | 58% |
Conditions | Yield |
---|---|
With zinc dibromide In tetrahydrofuran at 0 - 20℃; | 55% |
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The N-Benzyl-N-methylethanolamine, with the CAS registry number 101-98-4, is also known as N-Benzyl-N-methyl-2-aminoethanol. It belongs to the product categories of Aromatic alcohols and diols; Hydroxyethylamines. Its EINECS number is 202-994-3. This chemical's molecular formula is C10H15NO and molecular weight is 165.23. What's more, its systematic name is 2-[Benzyl(methyl)amino]ethanol. This chemical should be sealed and stored in a cool and ventilated place. Moreover, it should be protected from oxides, heat and fire.
Physical properties of N-Benzyl-N-methylethanolamine are: (1)ACD/LogP: 1.328; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.04; (4)ACD/LogD (pH 7.4): 0.67; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.31; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 27.48; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 23.47 Å2; (13)Index of Refraction: 1.542; (14)Molar Refractivity: 50.324 cm3; (15)Molar Volume: 160.023 cm3; (16)Polarizability: 19.95×10-24cm3; (17)Surface Tension: 41.4 dyne/cm; (18)Density: 1.033 g/cm3; (19)Flash Point: 87.299 °C; (20)Enthalpy of Vaporization: 52.199 kJ/mol; (21)Boiling Point: 256.532 °C at 760 mmHg; (22)Vapour Pressure: 0.008 mmHg at 25°C.
Preparation: this chemical can be prepared by 2-benzylamino-ethanol and formaldehyde by heating. This reaction will need reagent HCO2H and solvent methanol with the reaction time of 20 hours. The yield is about 84%.
Uses of N-Benzyl-N-methylethanolamine: it can be used to produce 2-methylamino-ethanol by heating. It will need reagent ammonium formate and solvent methanol with the reaction time of 10 min. This reaction will also need catalyst Pd-C. The yield is about 83%.
When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective gloves and eye/face protection and you must avoid contact with skin and eyes.
You can still convert the following datas into molecular structure:
(1)SMILES: OCCN(C)Cc1ccccc1
(2)Std. InChI: InChI=1S/C10H15NO/c1-11(7-8-12)9-10-5-3-2-4-6-10/h2-6,12H,7-9H2,1H3
(3)Std. InChIKey: WOUANPHGFPAJCA-UHFFFAOYSA-N