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103-49-1

Basic Information
CAS No.: 103-49-1
Name: Benzenemethanamine,N-(phenylmethyl)-
Article Data: 700
Cas Database
Molecular Structure:
Molecular Structure of 103-49-1 (Benzenemethanamine,N-(phenylmethyl)-)
Formula: C14H15N
Molecular Weight: 197.28
Synonyms: Dibenzylamine(8CI);(N-Benzylaminomethyl)benzene;Bibenzylamine;DBA;N,N-Dibenzylamine;N-(Phenylmethyl)benzenemethanamine;N-Benzylbenzylamine;NSC 4811;
EINECS: 203-117-7
Density: 1.026 g/cm3
Melting Point: -26 °C(lit.)
Boiling Point: 300 °C at 760 mmHg
Flash Point: 143.3 °C
Solubility: soluble in alcohol and ether, insoluble in water
Appearance: Colorless to light yellow liquid
Hazard Symbols: HarmfulXn,IrritantXi,CorrosiveC
Risk Codes: 22-36/38-52/53-34
Safety: 26-61-45-36/37/39
Transport Information: UN 2810
PSA: 12.03000
LogP: 3.36730
Synthetic route
780-25-6

N-benzylidene benzylamine

103-49-1

dibenzylamine

Conditions
ConditionsYield
With hydrogen; Ru((R,R)-cyP2N2)HCl In benzene-d6 at 20℃; under 2280.15 Torr; for 4h; Product distribution / selectivity; Alkaline conditions; Cooling with liquid nitrogen;100%
With hydrogen; Ru((R,R)-cyP2(NH)2)HCl In benzene-d6 at 20℃; under 2280.15 Torr; for 4h; Product distribution / selectivity; Alkaline conditions; Cooling with liquid nitrogen;100%
With bis(pentamethylcyclopentadienyl)zinc; hydrogen; 1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ylidene In benzene-d6 at 25℃; under 75007.5 Torr; for 72h; Reagent/catalyst; Temperature; Time; Pressure; Inert atmosphere;100%
621-07-8

N,N-dibenzylhydroxylamine

103-49-1

dibenzylamine

Conditions
ConditionsYield
With indium; ammonium chloride In ethanol for 3.5h; Product distribution; Further Variations:; Reagents; Heating;100%
With indium(III) chloride; ammonium chloride; zinc In ethanol; water for 3.5h; Catalytic behavior; Reagent/catalyst; Reflux; chemoselective reaction;100%
With titanium(III) chloride In methanol Ambient temperature;93%
With hydrogen iodide
With phosphorus trichloride durch Zersetzen des Reaktionsproduktes mit Wasser;
27845-50-7

(E)-N-benzylidenebenzylamine

103-49-1

dibenzylamine

Conditions
ConditionsYield
With calcium hydride; zinc dibromide In tetrahydrofuran at 40℃; for 12h;100%
With hydrogen; β-cyclodextrin/Pd In water at 25℃; under 15001.2 Torr; for 1h;100%
With hydrogen; palladium on activated charcoal In tetrahydrofuran at 25℃; under 15001.2 Torr;92%
1485-70-7

N-benzylbenzamide

103-49-1

dibenzylamine

Conditions
ConditionsYield
With 1,1,3,3-Tetramethyldisiloxane; [((CH3)5C5)IrCl((CH3)2NC6H3C5H4N)]; trityl tetrakis(pentafluorophenyl)borate In 1,1,2,2-tetrachloroethane at 100℃; for 0.5h; Inert atmosphere; Schlenk technique; Glovebox; chemoselective reaction;100%
With indium(III) bromide; 1,1,3,3-Tetramethyldisiloxane In 5,5-dimethyl-1,3-cyclohexadiene at 140℃; for 3h; Solvent; Temperature; Sealed tube;91%
With 1,1,3,3-Tetramethyldisiloxane; C25H23N3O2; copper(II) bis(trifluoromethanesulfonate) In toluene at 65℃; for 24h; Inert atmosphere;90%
27046-29-3

N-(4-bromobenzylidene)benzylamine

103-49-1

dibenzylamine

Conditions
ConditionsYield
With palladium 10% on activated carbon; hydrogen In methanol at 30℃; under 22502.3 Torr;100%
100-52-7

benzaldehyde

100-46-9

benzylamine

103-49-1

dibenzylamine

Conditions
ConditionsYield
With Au0998Ag0002; hydrogen In ethanol at 90℃; under 6080.41 Torr; for 24h; chemoselective reaction;99%
With butyl triphenylphosphonium tetraborate at 20℃; for 0.166667h;98%
With benzyltriphenylphosphonium borohydride In methanol at 20℃; for 0.333333h;98%
100-47-0

benzonitrile

103-49-1

dibenzylamine

Conditions
ConditionsYield
With hydrogen In toluene at 90℃; under 750.075 Torr; for 20h; chemoselective reaction;99%
With hydrogen In water at 120℃; under 37503.8 Torr; for 24h; chemoselective reaction;98%
With sodium tetrahydroborate; nickel dichloride In methanol at 20℃; for 4h; Reduction;96%
100-46-9

benzylamine

103-49-1

dibenzylamine

Conditions
ConditionsYield
With hydrogen In toluene at 60℃; under 7500.75 Torr; for 8h; Autoclave;99%
With hydrogen at 140℃; under 2250.23 Torr; for 24h; Reagent/catalyst; Pressure; Molecular sieve;98%
With 5 % Pd/TiO2 at 30℃; for 10h; Catalytic behavior; Inert atmosphere; UV-irradiation;96%
905244-84-0

N,N-dibenzyl-2,4,6-triisopropylbenzenesulfonamide

A

717-74-8

1,3,5-triisopropyl benzene

B

103-49-1

dibenzylamine

Conditions
ConditionsYield
With titanium(IV) isopropylate; chloro-trimethyl-silane; magnesium In tetrahydrofuran at 50℃; Inert atmosphere;A 99%
B 93%

N,N-dibenzyl-4-nitrobenzenesulfonamide

103-49-1

dibenzylamine

Conditions
ConditionsYield
With potassium carbonate; mercaptoacetic acid In methanol at 0 - 25℃; Inert atmosphere; chemoselective reaction;99%
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Specification

The Dibenzylamine, with CAS registry number of 103-49-1, is also known as Benzenemethanamine,N-(phenylmethyl)-. The IUPAC name is N-Benzyl-1-phenylmethanamine. It belongs to product categories of Pharmaceutical Intermediates; Amines; C11 to C38; Nitrogen Compounds. Its EINECS registry number is 203-117-7. In addition, the formula is C14H15N and the molecular weight is 197.28. This chemical is a colorless to light yellow liquid that soluble in alcohol and ether, insoluble in water. Besides, it should be sealed in ventilated, cool place away from fire, heat, oxidants and even acids. This chemical is used as intermediates in organic synthesis and used for determination of cobalt, iron and cyanates.

Physical properties about Dibenzylamine are: (1)ACD/LogP: 3.42; (2)ACD/LogD (pH 5.5): 0.55; (3)ACD/LogD (pH 7.4): 2.05; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 9.98; (6)ACD/KOC (pH 5.5): 2.32; (7)ACD/KOC (pH 7.4): 73.67; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Index of Refraction: 1.58; (12)Molar Refractivity: 63.88 cm3; (13)Molar Volume: 191.7 cm3; (14)Surface Tension: 40.5 dyne/cm; (15)Density: 1.028 g/cm3; (16)Flash Point: 143.3 °C; (17)Enthalpy of Vaporization: 54 kJ/mol; (18)Boiling Point: 300 °C at 760 mmHg; (19)Vapour Pressure: 0.00115 mmHg at 25 °C.

Preparation of Dibenzylamine: it is prepared by reaction of benzaldehyde with benzylamine. The reaction needs reagent benzyltriphenylphosphonium borohydride and solvent methanol at the temperature of 20 °C for 20 minutes. The yield is about 98%.

Dibenzylamine is prepared by reaction of benzaldehyde with benzylamine.

Uses of Dibenzylamine: it is used to produce dibenzyl-nitroso-amine. The reaction occurs with reagent cross-linked polyvinylpyrrolidone·N2O4 and solvent CH2Cl2 at 20 °C for 5 minutes. The yield is about 95%.

Dibenzylamine is used to produce dibenzyl-nitroso-amine.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes and skin. This chemical is harmful if swallowed and also is harmful to aquatic organisms as it may cause long-term adverse effects in the aquatic environment. What's more, it causes burns. When using it, you should wear suitable protective clothing, gloves and eye/face protection. You must avoid releasing it to the environment. If contact with eyes accidently, you must rinse immediately with plenty of water and seek medical advice. In case of accident or if you feel unwell, you should seek medical advice immediately.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C=C1)CNCC2=CC=CC=C2
(2) InChI: InChI=1S/C14H15N/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14/h1-10,15H,11-12H2
(3)InChIKey: BWLUMTFWVZZZND-UHFFFAOYSA-N