N-Benzylethanolamine supplier

Name
N-Benzylethanolamine
EINECS 203-221-2
CAS No. 104-63-2
Article Data78
CAS DataBase
Density 1.065 g/cm³
Solubility Miscible with water
Melting Point -30℃
Formula C₉H₁₃NO
Boiling Point 285.1 °C at 760 mmHg
Molecular Weight 151.208
Flash Point 131.8 °C
Transport Information
Appearance light yellow viscid transparent liquid
Safety 23-24/25
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms Ethanol,2-(benzylamino)- (6CI,7CI,8CI);2-(Benzylamino)ethanol;2-(N-Benzylamino)ethanol;2-[(Phenylmethyl)amino]ethanol;Benzyl(2-hydroxyethyl)amine;Benzylaminoethanol;Benzylethanolamine;N-(2-Hydroxyethyl)benzenemethanamine;N-(2-Hydroxyethyl)benzylamine;N-Benzyl-2-aminoethanol;N-Benzyl-2-hydroxyethylamine;N-Benzylaminoethanol;NSC11271;NSC 177008;NSC 60267;
PSA 32.26000
LogP 1.15940

Synthetic route

: 100-52-7
benzaldehyde

: 141-43-5
ethanolamine

: 104-63-2
N-Benzylethanolamine

Conditions

Conditions	Yield
Stage #1: benzaldehyde; ethanolamine In methanol at 20℃; for 0.25h; Stage #2: With methanol; sodium tetrahydroborate at 0 - 20℃;	100%
With copper chromium spinel oxide; hydrogen; barium(II) oxide at 130℃; under 37503 Torr; for 1h;	97.8%
Stage #1: benzaldehyde; ethanolamine With magnesium sulfate In methanol at 20℃; for 18h; Stage #2: With sodium tetrahydroborate In methanol at 0 - 20℃; for 1h;	95%

: 154582-42-0
[benzyl-(2-hydroxyethyl)-amino]-acetonitrile

: 104-63-2
N-Benzylethanolamine

Conditions

Conditions	Yield
With hydrogen; platinum(IV) oxide In ethanol	98%

: trimethyl [2-(benzylamino)ethoxy]silane

: 104-63-2
N-Benzylethanolamine

Conditions

Conditions	Yield
With methanol; 1,3-disulfonic acid imidazolium hydrogen sulfate at 20℃; for 0.0666667h; Green chemistry;	97%

: 7127-19-7
2-phenyl-1,3-oxazoline

: 104-63-2
N-Benzylethanolamine

Conditions

Conditions	Yield
With diborane In tetrahydrofuran for 5h; Heating;	96%
With lithium aluminium tetrahydride In diethyl ether

: 770-37-6
2-(N-benzylidenamino)ethanol

: 104-63-2
N-Benzylethanolamine

Conditions

Conditions	Yield
With sodium cyanoborohydride In methanol at 20℃; for 12h; Inert atmosphere; Cooling with ice;	94%
With hydrogen; palladium on activated charcoal Yield given;
With sodium tetrahydroborate In methanol at 5 - 20℃;

: 2510-33-0
N-benzyl-2-oxazolidinone

: 104-63-2
N-Benzylethanolamine

Conditions

Conditions	Yield
With Dowex 1*8-100 resin (hydroxide form) In tetrahydrofuran; methanol at 20℃; for 18h;	94%

: 237769-03-8
2-oxo-3-phenylmethyl-1,2,3-oxathiazolidine

: 104-63-2
N-Benzylethanolamine

Conditions

Conditions	Yield
With thiophenol In methanol at 20℃; for 0.5h;	84%

: 100-44-7
benzyl chloride

: 141-43-5
ethanolamine

: 104-63-2
N-Benzylethanolamine

Conditions

Conditions	Yield
In N,N-dimethyl-formamide for 1h; Heating;	80%

: C12H17NO3

: 104-63-2
N-Benzylethanolamine

Conditions

Conditions	Yield
With sodium tetrahydroborate In ethanol at 20℃; for 1h;	80%

: 1375855-50-7
C9H11NO

: 104-63-2
N-Benzylethanolamine

Conditions

Conditions	Yield
With sodium tetrahydroborate In methanol at 0℃; for 3h; Inert atmosphere; Reflux;	79%

: 38336-06-0
N-benzyl-2-(benzyloxy)ethan-1-amine

: 104-63-2
N-Benzylethanolamine

Conditions

Conditions	Yield
With triphenylphosphine hydrobromide In acetonitrile at 100℃; for 0.5h; Microwave irradiation; sealed tube;	72%

: 141-43-5
ethanolamine

: 100-46-9
benzylamine

: 104-63-2
N-Benzylethanolamine

Conditions

Conditions	Yield
With 1-(3-amino-2,4-dihydroxyphenyl)-1-ethanone In methanol at 20℃; for 4h; Inert atmosphere; Electrochemical reaction; chemoselective reaction;	68%

: 495-69-2
Hippuric Acid

: 104-63-2
N-Benzylethanolamine

Conditions

Conditions	Yield
With sodium tetrahydroborate; iodine In tetrahydrofuran Heating;	64%
With lithium aluminium tetrahydride

: 124948-51-2
(E)-2-(benzylideneamino)ethanol

: 104-63-2
N-Benzylethanolamine

Conditions

Conditions	Yield
With sodium tetrahydroborate In ethanol at 0 - 20℃; for 21h;	61.3%
With sodium tetrahydroborate In ethanol at 0 - 20℃;

: 73731-97-2
N-benzyl-β-vinyloxyethylamine

: 104-63-2
N-Benzylethanolamine

Conditions

Conditions	Yield
With sulfuric acid at 20℃; for 3h; Heating;	60%

: 100-46-9
benzylamine

: 540-51-2
2-bromoethanol

: 104-63-2
N-Benzylethanolamine

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide at 20℃; for 6h;	58%

: 84609-66-5
3-benzylcyclohexanospiro-2-oxazolidine

A: 27866-39-3
1-benzyl-4,5,6,7-tetrahydro-1H-indole

B: 104-63-2
N-Benzylethanolamine

C: 108-93-0
cyclohexanol

Conditions

Conditions	Yield
With potassium hydroxide Heating; CH3ONa as reagent;	A 43% B n/a C n/a

...Expand

: 75-21-8
oxirane

: 100-46-9
benzylamine

A: 101-32-6
N-benzyl-diethanolamine

B: 104-63-2
N-Benzylethanolamine

...Expand

: 1205-08-9
methyl hippurate

: 104-63-2
N-Benzylethanolamine

Conditions

Conditions	Yield
With lithium aluminium tetrahydride
With borane In tetrahydrofuran
With lithium aluminium tetrahydride In tetrahydrofuran

: 6436-90-4
ethyl 2-(benzylamino)acetate

: 104-63-2
N-Benzylethanolamine

Conditions

Conditions	Yield
With ethanol; sodium Durch Reduktion;

: 412308-23-7
2-chloroethyl N-benzylcarbamate

: 104-63-2
N-Benzylethanolamine

Conditions

Conditions	Yield
With sodium hydroxide at 80℃;

: 100-44-7
benzyl chloride

: 141-43-5
ethanolamine

A: 101-06-4
N,N-dibenzyl-2-aminoethanol

B: 104-63-2
N-Benzylethanolamine

Conditions

Conditions	Yield
With sodium hydroxide; ethanol

...Expand

: 100-46-9
benzylamine

: 107-07-3
2-chloro-ethanol

: 104-63-2
N-Benzylethanolamine

: 75-21-8
oxirane

: 100-46-9
benzylamine

: 104-63-2
N-Benzylethanolamine

: C13H25N3OP(1+)*ClO4(1-)

: 141-43-5
ethanolamine

: 104-63-2
N-Benzylethanolamine

: 17886-25-8
1-benzyl-4,5-dihydro-1H-[1,2,3]triazole

A: 1074-42-6
1-benzylaziridine

B: 75-07-0
acetaldehyde

C: 100-46-9
benzylamine

D: 104-63-2
N-Benzylethanolamine

Conditions

Conditions	Yield
With water at 25℃; Rate constant; Product distribution; Mechanism; pH 10.75 (lysine buffer); other solvent, other pH (other buffer concentration, other buffer), H/D isotope effect;

...Expand

: 100-39-0
benzyl bromide

: 141-43-5
ethanolamine

A: 38336-04-8
O-benzylethanolamine

B: 38336-06-0
N-benzyl-2-(benzyloxy)ethan-1-amine

C: 104-63-2
N-Benzylethanolamine

Conditions

Conditions	Yield
With sodium hydride; tetra(tert-butyl)-ammonium fluoride 1.) THF, reflux, 0.5 h, 2.) THF, 20 deg C, 3 h; Yield given. Multistep reaction. Yields of byproduct given. Title compound not separated from byproducts;
With sodium hydride; tetra(tert-butyl)-ammonium fluoride 1.) THF, reflux, 0.5 h, 2.) THF, 20 deg C, 3 h; Yield given. Multistep reaction. Yields of byproduct given;

...Expand

: 100-44-7
benzyl chloride

: 141-43-5
ethanolamine

A: 38336-04-8
O-benzylethanolamine

B: 38336-06-0
N-benzyl-2-(benzyloxy)ethan-1-amine

C: 104-63-2
N-Benzylethanolamine

Conditions

Conditions	Yield
With sodium hydride 1.) THF, reflux, 0.5 h, 2.) TH , reflux, 2 h; Yield given. Multistep reaction. Yields of byproduct given;

...Expand

: 7127-19-7
2-phenyl-1,3-oxazoline

: 71-41-0
pentan-1-ol

sodium: sodium

: 104-63-2
N-Benzylethanolamine

...Expand

: 96-32-2
bromoacetic acid methyl ester

: 104-63-2
N-Benzylethanolamine

: 5453-99-6
4-benzyl-morpholin-2-one

Conditions

Conditions	Yield
With potassium carbonate In acetonitrile at 0 - 20℃; for 24h; Reagent/catalyst; Solvent;	100%
With toluene-4-sulfonic acid; triethylamine 1.) benzene, r.t., 12 h, 2.) benzene, reflux, 1 d; Yield given. Multistep reaction;

: 920-37-6
2-Chloroacrylonitrile

: 104-63-2
N-Benzylethanolamine

: 1030837-46-7
3-(benzyl(2-hydroxyethyl)amino)-2-chloro-propanenitrile

Conditions

Conditions	Yield
In diethyl ether at 40℃;	100%
In diethyl ether for 120h; Ambient temperature;
at 15 - 29℃; Neat (no solvent);

: 24424-99-5
di-tert-butyl dicarbonate

: 104-63-2
N-Benzylethanolamine

: 121496-39-7
N-(tert-butoxycarbonyl)-N-benzylethanolamine

Conditions

Conditions	Yield
In tetrahydrofuran	100%
In acetonitrile at 20℃; Condensation;	100%
With sodium hydroxide In dichloromethane; water at 20℃; for 24h;	100%

: 104-63-2
N-Benzylethanolamine

: 75321-89-0
2-(3-fluorophenyl)acetaldehyde

: 1018909-31-3
2-[benzyl(3'-fluorophenethyl)amino]ethanol

Conditions

Conditions	Yield
With sodium tris(acetoxy)borohydride In 1,2-dichloro-ethane	100%
With sodium tris(acetoxy)borohydride In 1,2-dichloro-ethane at 20℃; for 14h; Inert atmosphere;	100%
With sodium tris(acetoxy)borohydride In 1,2-dichloro-ethane	100%
With sodium tris(acetoxy)borohydride In 1,2-dichloro-ethane at 20℃; for 14h;	100%
With sodium tris(acetoxy)borohydride at 20℃; for 14h;	91%

: 104-63-2
N-Benzylethanolamine

: 237769-03-8
2-oxo-3-phenylmethyl-1,2,3-oxathiazolidine

Conditions

Conditions	Yield
With 1H-imidazole; sulfuryl dichloride; triethylamine In dichloromethane at 0℃; for 1h; pH=15;	100%

: 5292-43-3
bromoacetic acid tert-butyl ester

: 104-63-2
N-Benzylethanolamine

: 168263-75-0
tert-butyl 2-(benzyl-(2-hydroxyethyl)amino)-acetate

Conditions

Conditions	Yield
With N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 0 - 20℃; for 24h;	100%
With N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 20℃; for 24h;	100%
With N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 0 - 25℃; for 12h;	100%

: 61494-55-1
2-Chloro-pyridin-3-yl acetic acid

: 104-63-2
N-Benzylethanolamine

: 956434-27-8
N-benzyl-2-(2-chloropyridin-3-yl)-N-(2-hydroxyethyl)acetamide

Conditions

Conditions	Yield
With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In N,N-dimethyl-formamide at 20℃; for 96h;	100%

: 34619-03-9
tert-butyldicarbonate

: 104-63-2
N-Benzylethanolamine

: 121496-39-7
N-(tert-butoxycarbonyl)-N-benzylethanolamine

Conditions

Conditions	Yield
With sodium hydroxide In dichloromethane; water at 20℃; for 24h;	100%

: 122-78-1
phenylacetaldehyde

: 104-63-2
N-Benzylethanolamine

: 415932-36-4
2-[benzyl(phenethyl)amino]ethanol

Conditions

Conditions	Yield
With sodium tris(acetoxy)borohydride In 1,2-dichloro-ethane at 20℃; for 14h; Inert atmosphere;	100%

: 1736-67-0
4-fluorophenylacetaldehyde

: 104-63-2
N-Benzylethanolamine

: 1018909-32-4
2-[benzyl(4'-fluorophenethyl)amino]ethanol

Conditions

Conditions	Yield
With sodium tris(acetoxy)borohydride In 1,2-dichloro-ethane at 20℃; for 14h; Inert atmosphere;	100%

: 2493-02-9
4-bromophenyl isocyanate

: 104-63-2
N-Benzylethanolamine

: 1219729-01-7
C16H17BrN2O2

Conditions

Conditions	Yield
In dichloromethane at 0 - 20℃;	100%
In dichloromethane at 0 - 20℃;

: 1258394-24-9
3-chloro-5-[(3R)-3-methylmorpholin-4-yl]pyrazine-2-carbaldehyde

: 104-63-2
N-Benzylethanolamine

: 1258394-26-1
2-[benzyl({3-chloro-5-[(3R)-3-methylmorpholin-4-yl]pyrazin-2-yl}methyl)amino]ethanol

Conditions

Conditions	Yield
With sodium tris(acetoxy)borohydride; acetic acid In acetonitrile at 10 - 30℃;	100%

: 2-isopropylpent-4-enal

: 104-63-2
N-Benzylethanolamine

: 1254367-07-1
3-benzyl-2-(2-methylhex-5-en-3-yl)oxazolidine

Conditions

Conditions	Yield
In toluene for 3h; Inert atmosphere; Heating;	100%

: 2-(3-(benzyloxy)propyl)pent-4-enal

: 104-63-2
N-Benzylethanolamine

: 1254367-11-7
3-benzyl-2-(7-benzyloxyhept-1-en-4-yl)oxazolidine

Conditions

Conditions	Yield
In toluene for 3h; Inert atmosphere; Heating;	100%

: 1254366-86-3
2-(2-bromophenyl)pent-4-enal

: 104-63-2
N-Benzylethanolamine

: 1254367-01-5
3-benzyl-2-(1-(2-bromophenyl)but-3-enyl)oxazolidine

Conditions

Conditions	Yield
In toluene for 3h; Inert atmosphere; Heating;	100%

: 1254366-94-3
2-(dibenzylamino)pent-4-enal

: 104-63-2
N-Benzylethanolamine

: 1254367-09-3
N,N-dibenzyl-1-(3-benzyloxazolidin-2-yl)but-3-en-1-amine

Conditions

Conditions	Yield
In toluene for 3h; Inert atmosphere; Heating;	100%

: 1254366-97-6
2-trityloxypent-4-enal

: 104-63-2
N-Benzylethanolamine

: 1254367-15-1
3-benzyl-2-(3-trityloxybut-3-en-4-yl)oxazolidine

Conditions

Conditions	Yield
In toluene for 3h; Inert atmosphere; Heating;	100%

: 1254366-90-9
2-trityloxymethylpent-4-enal

: 104-63-2
N-Benzylethanolamine

: 1254367-16-2
3-benzyl-2-(1-trityloxypent-3-enyl)oxazoline

Conditions

Conditions	Yield
In toluene for 3h; Inert atmosphere; Heating;	100%

: 1254366-92-1
(E)-2-allyl-5-phenylpent-4-enal

: 104-63-2
N-Benzylethanolamine

: 1254367-17-3
3-benzyl-2-((E)-1-phenylhepta-1,6-dien-4-yl)oxazoline

Conditions

Conditions	Yield
In toluene for 3h; Inert atmosphere; Heating;	100%

: 24401-36-3
2-phenyl-4-penten-1-al

: 104-63-2
N-Benzylethanolamine

: 1254366-99-8
3-benzyl-2-(1-phenylbut-3-enyl)oxazolidine

Conditions

Conditions	Yield
In toluene for 3h; Inert atmosphere; Heating;	100%

: 95107-99-6
tert-butyl (S)-(1-oxopent-4-en-2-yl)carbamate

: 104-63-2
N-Benzylethanolamine

: 1254366-68-1
tert-butyl (S)-1-(3-benzyloxazolidin-2-yl)but-3-enylcarbamate

Conditions

Conditions	Yield
In benzene at 50℃; for 2h; Inert atmosphere;	100%

: 105746-95-0
2-propenyl-octanal

: 104-63-2
N-Benzylethanolamine

: 1254367-05-9
3-benzyl-2-(dec-1-en-4-yl)oxazolidine

Conditions

Conditions	Yield
In toluene for 3h; Inert atmosphere; Heating;	100%

: 85624-04-0
(+/-)-α-allyl-α-(p-methoxyphenyl)acetaldehyde

: 104-63-2
N-Benzylethanolamine

: 1254367-03-7
3-benzyl-2-[1-(4-methoxyphenyl)but-3-enyl]oxazolidine

Conditions

Conditions	Yield
In toluene for 3h; Inert atmosphere; Heating;	100%

: 222302-35-4
2-(benzyloxy)-4-pentenal

: 104-63-2
N-Benzylethanolamine

: 1254367-13-9
3-benzyl-2-(3-benzyloxybut-3-en-4-yl)oxazolidine

Conditions

Conditions	Yield
In toluene for 3h; Inert atmosphere; Heating;	100%

: 1258394-21-6
3-chloro-5-[methyl(propan-2-yl)amino]pyrazine-2-carbaldehyde

: 104-63-2
N-Benzylethanolamine

: 1258394-22-7
2-[benzyl({3-chloro-5-[methyl(1-methylethyl)amino]pyrazin-2-yl}methyl)amino]ethanol

Conditions

Conditions	Yield
With sodium tris(acetoxy)borohydride; acetic acid In acetonitrile at 10 - 30℃; for 5h;	100%

: 107-59-5
tert-Butyl chloroacetate

: 104-63-2
N-Benzylethanolamine

: 168263-75-0
tert-butyl 2-(benzyl-(2-hydroxyethyl)amino)-acetate

Conditions

Conditions	Yield
With potassium carbonate; sodium iodide In acetonitrile Inert atmosphere; Reflux;	100%

: 100-39-0
benzyl bromide

: 104-63-2
N-Benzylethanolamine

: 101-06-4
N,N-dibenzyl-2-aminoethanol

Conditions

Conditions	Yield
With potassium carbonate In acetonitrile at 80℃; for 1.5h;	100%
With potassium carbonate In acetonitrile

: 104-63-2
N-Benzylethanolamine

: 16088-62-3
(S)-Propylene oxide

: (S)-(benzyl(2-hydroxyethyl)amino)propan-2-ol

Conditions

Conditions	Yield
at 100℃; for 1h; Microwave irradiation;	100%

: 96-32-2
bromoacetic acid methyl ester

: 104-63-2
N-Benzylethanolamine

: 118460-24-5
methyl 2-(benzyl(2-hydroxyethyl)amino)acetate

Conditions

Conditions	Yield
With N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 20℃; for 24h; Reagent/catalyst; Solvent;	100%

N-Benzylethanolamine Specification

The Ethanol,2-[(phenylmethyl)amino]-, with CAS registry number 104-63-2, belongs to the following product category: Hydroxyethylamines. It has the systematic name of 2-(benzylamino)ethanol. This chemical is a kind of clear colorless to light yellow liquid. What's more, its EINECS is 203-221-2.

Physical properties of Ethanol,2-[(phenylmethyl)amino]-: (1)ACD/LogP: 1.12; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.79; (4)ACD/LogD (pH 7.4): -0.34; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 3.38; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 12.47 Å²; (13)Index of Refraction: 1.54; (14)Molar Refractivity: 45.56 cm³; (15)Molar Volume: 145 cm³; (16)Polarizability: 18.06×10^-24cm³; (17)Surface Tension: 41.5 dyne/cm; (18)Enthalpy of Vaporization: 55.35 kJ/mol; (19)Vapour Pressure: 0.00134 mmHg at 25°C.

Uses of Ethanol,2-[(phenylmethyl)amino]-: it can be used to produce benzylamine and N-benzyl-formamide. This reaction will need reagent sodium metaperiodate and solvent H₂O, methanol. The reaction time is 4 hour(s). The yield is about 61%.

When you are using this chemical, please be cautious about it as the following:
The Trimesic acid irritates to eyes, respiratory system and skin. When use it, do not breathe vapour and avoid contact with skin and eyes.

You can still convert the following datas into molecular structure:
(1)SMILES: OCCNCc1ccccc1
(2)InChI: InChI=1/C9H13NO/c11-7-6-10-8-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2
(3)InChIKey: XNIOWJUQPMKCIJ-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C9H13NO/c11-7-6-10-8-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2
(5)Std. InChIKey: XNIOWJUQPMKCIJ-UHFFFAOYSA-N

Product Name

N-Benzylethanolamine

Synthetic route

N-Benzylethanolamine Specification

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