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N-Benzyl-N-methylethanolamine

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Name

N-Benzyl-N-methylethanolamine

EINECS 202-994-3
CAS No. 101-98-4 Density 1.033 g/cm3
PSA 23.47000 LogP 1.11070
Solubility N/A Melting Point N/A
Formula C10H15NO Boiling Point 256.532 °C at 760 mmHg
Molecular Weight 165.235 Flash Point 87.299 °C
Transport Information N/A Appearance clear yellowish liquid
Safety 26-37/39-24/25 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 101-98-4 (N-Benzyl-N-methylethanolamine) Hazard Symbols IrritantXi
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;

Article Data 41

N-Benzyl-N-methylethanolamine Synthetic route

103-67-3

benzyl-methyl-amine

107-07-3

2-chloro-ethanol

101-98-4

2-(N-benzyl-N-methyl)amino-1-ethanol

Conditions
ConditionsYield
In acetonitrile Heating;100%
With potassium carbonate; potassium iodide In acetonitrile for 48h; Heating / reflux;63%
With toluene
at 110℃; im Rohr;
109-83-1

(2-hydroxyethyl)(methyl)amine

98-88-4

benzoyl chloride

101-98-4

2-(N-benzyl-N-methyl)amino-1-ethanol

Conditions
ConditionsYield
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%
109-83-1

(2-hydroxyethyl)(methyl)amine

100-44-7

benzyl chloride

101-98-4

2-(N-benzyl-N-methyl)amino-1-ethanol

Conditions
ConditionsYield
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%
109-83-1

(2-hydroxyethyl)(methyl)amine

100-39-0

benzyl bromide

101-98-4

2-(N-benzyl-N-methyl)amino-1-ethanol

Conditions
ConditionsYield
With triethylamine In acetonitrile at 0 - 20℃; for 1.5h;90%
67-56-1

methanol

104-63-2

N-Benzylethanolamine

101-98-4

2-(N-benzyl-N-methyl)amino-1-ethanol

Conditions
ConditionsYield
With 5percent silver supported on titanium oxide at 25℃; for 10h; Inert atmosphere; Sealed tube; UV-irradiation;87%
109-83-1

(2-hydroxyethyl)(methyl)amine

100-52-7

benzaldehyde

101-98-4

2-(N-benzyl-N-methyl)amino-1-ethanol

Conditions
ConditionsYield
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%
50-00-0

formaldehyd

104-63-2

N-Benzylethanolamine

101-98-4

2-(N-benzyl-N-methyl)amino-1-ethanol

Conditions
ConditionsYield
With formic acid In methanol for 20h; Heating;84%
With formic acid In water at 105℃; Eschweiler-Clarke Methylation;61%
With formic acid

N-benzyl-N-methyl-2-fluoroethylamine

101-98-4

2-(N-benzyl-N-methyl)amino-1-ethanol

Conditions
ConditionsYield
With tris(bis(trimethylsilyl)amido)lanthanum(III); water In dichloromethane at 20℃; for 1h; Inert atmosphere;70%
103-67-3

benzyl-methyl-amine

540-51-2

2-bromoethanol

101-98-4

2-(N-benzyl-N-methyl)amino-1-ethanol

Conditions
ConditionsYield
With potassium carbonate In N,N-dimethyl-formamide at 60℃; for 9h;58%
75-21-8

oxirane

103-67-3

benzyl-methyl-amine

101-98-4

2-(N-benzyl-N-methyl)amino-1-ethanol

Conditions
ConditionsYield
With zinc dibromide In tetrahydrofuran at 0 - 20℃;55%

N-Benzyl-N-methylethanolamine Specification

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%.

N-Benzyl-N-methylethanolamine can be prepared by 2-benzylamino-ethanol and formaldehyde by heating

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%.

N-Benzyl-N-methylethanolamine can be used to produce 2-methylamino-ethanol by heating

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  

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