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25611-78-3

Basic Information
CAS No.: 25611-78-3
Name: 1,2-Diphenylethylamine
Article Data: 56
Molecular Structure:
Molecular Structure of 25611-78-3 (1,2-Diphenylethylamine)
Formula: C14H15N
Molecular Weight: 197.28
Synonyms: Ethylamine,1,2-diphenyl- (6CI,7CI);(?à)-1,2-Diphenylethylamine;(?à)-a,b-Diphenylethylamine;(?à)-a-Phenylphenethylamine;1,2-Diphenethylamine;1,2-Diphenylethanamine;1,2-Diphenylethylamine;1-Amino-1,2-diphenylethane;DL-1,2-Diphenylethylamine;Ethanamine, 1,2-diphenyl-;dl-a-Benzylbenzylamine;a-Benzylbenzylamine;a-Phenylbenzeneethanamine;
EINECS: 247-126-4
Density: 1.02 g/mL at 25 °C(lit.)
Boiling Point: 311.1 °C at 760 mmHg
Flash Point: 136.8 °C
Appearance: COLORLESS TO YELLOW LIQUID
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-37/39
PSA: 26.02000
LogP: 3.62940
Synthetic route
695231-57-3

(1,2-diphenyl-ethyl)-carbamic acid tert-butyl ester

25611-78-3

(R,S)-1,2-diphenylethylamine

Conditions
ConditionsYield
With water; sodium t-butanolate In tetrahydrofuran Heating;100%
103-30-0

(E)-1,2-diphenyl-ethene

25611-78-3

(R,S)-1,2-diphenylethylamine

Conditions
ConditionsYield
With 10-phenyl-9-(2,4,6-trimethylphenyl)acridinium tetrafluoroborate; ammonium carbonate; 2-amino-benzenethiol In dichloromethane; chlorobenzene at 20℃; for 12h; Schlenk technique; Inert atmosphere; Sealed tube; Irradiation;98%
Multi-step reaction with 2 steps
1: PrPPTNO / acetonitrile / 16 h / 30 °C / Irradiation
2: hydrogen; palladium on activated charcoal / ethyl acetate / 3 h / 50 °C
View Scheme
451-40-1

phenyl benzyl ketone

25611-78-3

(R,S)-1,2-diphenylethylamine

Conditions
ConditionsYield
With ammonia; hydrogen In water at 130℃; for 24h; Autoclave;93%
With ammonium formate; C25H29ClIrN2O3P at 50℃; for 18h; Leukardt-Wallach Amination; Sealed tube;69%
With formic acid; ammonium carbonate
Stage #1: phenyl benzyl ketone With ammonium formate at 160℃;
Stage #2: With hydrogenchloride In methanol
Multi-step reaction with 2 steps
1: hydroxylamine hydrochloride; sodium acetate / ethanol / 6 h / 60 °C
2: hydrogenchloride; palladium 10% on activated carbon; hydrogen / ethanol; water
View Scheme
645-49-8

cis-stilben

25611-78-3

(R,S)-1,2-diphenylethylamine

Conditions
ConditionsYield
With 10-phenyl-9-(2,4,6-trimethylphenyl)acridinium tetrafluoroborate; ammonium carbonate; 2-amino-benzenethiol In dichloromethane; chlorobenzene at 20℃; for 12h; Schlenk technique; Inert atmosphere; Sealed tube; Irradiation;93%
100-52-7

benzaldehyde

108-88-3

toluene

25611-78-3

(R,S)-1,2-diphenylethylamine

Conditions
ConditionsYield
With sodium hexamethyldisilazane; caesium carbonate at 110℃; for 12h; Catalytic behavior; Reagent/catalyst; Sealed tube; Inert atmosphere; chemoselective reaction;90%
588-59-0

stilbene

25611-78-3

(R,S)-1,2-diphenylethylamine

Conditions
ConditionsYield
With terephthalonitrile; ammonia In water; acetonitrile; benzene for 31h; Ambient temperature; Irradiation;88%
With terephthalonitrile; ammonia In water; acetonitrile for 20h; Mechanism; Ambient temperature; Irradiation; other solvent; regiochemistry on photoamination of other 1,2-diarylethene via electron transfer;46%

N-(1,2-diphenylethyl)-2-(4-methoxyphenyl)propan-2-amine

25611-78-3

(R,S)-1,2-diphenylethylamine

Conditions
ConditionsYield
With trifluoroacetic acid at 50℃; for 12.5h;88%
33542-84-6

N-(1,2-diphenyl-ethyl)-N-benzylamine

25611-78-3

(R,S)-1,2-diphenylethylamine

Conditions
ConditionsYield
With palladium on activated charcoal; hydrogen In ethyl acetate at 50℃; for 3h;84%
1086209-16-6

α-benzylideneamino-α-phenylacetamide

100-39-0

benzyl bromide

A

7505-92-2

2-oxo-2-phenylacetamide

B

25611-78-3

(R,S)-1,2-diphenylethylamine

C

145143-11-9

2-Amino-2,3-diphenyl-propionamide

Conditions
ConditionsYield
With sodium hydroxide; tetra(n-butyl)ammonium hydrogensulfate In dichloromethane Ambient temperature; phase-transfer conditions; Yields of byproduct given;A n/a
B n/a
C 79%
1589-82-8

phenylmagnesium bromide

100-47-0

benzonitrile

25611-78-3

(R,S)-1,2-diphenylethylamine

Conditions
ConditionsYield
Stage #1: phenylmagnesium bromide; benzonitrile In tetrahydrofuran; diethyl ether at 100℃; for 0.166667h; Microwave irradiation;
Stage #2: With sodium tetrahydroborate In tetrahydrofuran; methanol; diethyl ether for 0.0833333h;
76%
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Specification

This chemical is called 1,2-Diphenylethylamine, and it can also be named as Benzeneethanamine, α-phenyl-. With the molecular formula of C14H15N, its molecular weight is 197.28. The CAS registry number of this chemical is 25611-78-3, and its product categories are Amines; C11 to C38; Nitrogen Compounds.

Other characteristics of the 1,2-Diphenylethylamine can be summarised as followings: (1)ACD/LogP: 3.13; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.07; (4)ACD/LogD (pH 7.4): 0.96; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.04; (8)ACD/KOC (pH 7.4): 8.13; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 3.24 Å2; (13)Index of Refraction: 1.596; (14)Molar Refractivity: 63.82 cm3; (15)Molar Volume: 187.3 cm3; (16)Polarizability: 25.3×10-24cm3; (17)Surface Tension: 44.4 dyne/cm; (18)Density: 1.02 g/cm3; (19)Flash Point: 136.8 °C; (20)Enthalpy of Vaporization: 55.2 kJ/mol; (21)Boiling Point: 311.1 °C at 760 mmHg; (22)Vapour Pressure: 0.000575 mmHg at 25°C.

Uses of this chemical: The N-bibenzyl-a-yl-benzamide could be obtained by the reactants of benzoyl chloride and 1,2-Diphenylethylamine, the reagent of 15percent sodium hydroxide and the solvent of H2O. This reaction should be taken for 1 hour at the temperature of 0 °C, and its yield is 98 %.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin, so you should wear suitable protective clothing when you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
1.SMILES: NC(c1ccccc1)Cc2ccccc2
2.InChI: InChI=1/C14H15N/c15-14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-10,14H,11,15H2
3.InChIKey: DTGGNTMERRTPLR-UHFFFAOYAN
4.Std. InChI: InChI=1S/C14H15N/c15-14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-10,14H,11,15H2
5.Std. InChIKey: DTGGNTMERRTPLR-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 145mg/kg (145mg/kg) BEHAVIORAL: FOOD INTAKE (ANIMAL)

BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)
Arzneimittel-Forschung. Drug Research. Vol. 28, Pg. 1561, 1978.
Link to PubMed
rat LDLo intraperitoneal 100mg/kg (100mg/kg)   Pharmaceutical Bulletin. Vol. 1, Pg. 174, 1953.