1,2-Diphenylethylamine

Base Information

• Chemical Name: 1,2-Diphenylethylamine
• CAS No.: 25611-78-3
• Molecular Formula: C14H15N
• Molecular Weight: 197.28
• Hs Code.: 2921499090
• European Community (EC) Number: 247-126-4
• DSSTox Substance ID: DTXSID20871350
• Nikkaji Number: J79.059A
• ChEMBL ID: CHEMBL351811
• Mol file: 25611-78-3.mol

Synonyms:1,2-Diphenylethylamine;25611-78-3;1,2-Diphenylethanamine;1-Amino-1,2-diphenylethane;alpha-Benzylbenzylamine;1,2-Diphenylethan-1-Amine;1,2-Diphenyl-ethylamine;alpha-Phenylphenethylamine;alpha-Phenylbenzeneethanamine;alpha,beta-Diphenylethylamine;Benzeneethanamine, alpha-phenyl-;EINECS 247-126-4;Phenethylamine, alpha-phenyl-;1,2diphenylethylamine;.alpha.-Benzylbenzylamine;1,2-Diphenylethanamine #;.alpha.-Phenylphenethylamine;Oprea1_325648;(-)-1,2-diphenylethylamine;SCHEMBL272604;1,2-Diphenylethylamine, 97%;CHEMBL351811;Phenethylamine, .alpha.-phenyl-;DTXSID20871350;HMS1780N20;Benzeneethanamine, .alpha.-phenyl-;MFCD00008063;STL326871;AKOS002533567;AKOS016050243;Benzeneethanamine, alpha-phenyl- (9CI);AS-57746;LS-103705;CS-0269908;D1144;FT-0638539;EN300-12654;D89794

Chemical Property of 1,2-Diphenylethylamine

Chemical Property:

• Appearance/Colour: COLORLESS TO YELLOW LIQUID
• Vapor Pressure: 0.000575mmHg at 25°C
• Refractive Index: n20/D 1.58(lit.)
• Boiling Point: 311.1 °C at 760 mmHg
• PKA: 8.78±0.10(Predicted)
• Flash Point: 136.8 °C
• PSA: 26.02000
• Density: 1.02 g/mL at 25 °C(lit.)
• LogP: 3.62940
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 197.120449483
• Heavy Atom Count: 15
• Complexity: 166

Purity/Quality:

98%,99%, ^*data from raw suppliers

1,2-Diphenylethylamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CC(C2=CC=CC=C2)N
• Uses: 1,2-Diphenylethylamine (cas# 25611-78-3) is used in the preparation of GDP-triazoles for inhibition of human α-1,3-fucosyltransferases.

Technology Process of 1,2-Diphenylethylamine

There total 49 articles about 1,2-Diphenylethylamine which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 100.0%

(1,2-diphenyl-ethyl)-carbamic acid tert-butyl ester (695231-57-3) → (R,S)-1,2-diphenylethylamine (25611-78-3)

Guidance literature:

With water; sodium t-butanolate; In tetrahydrofuran; Heating;

DOI:10.1016/j.tetlet.2003.11.108

Reference yield: 98.0%

(E)-1,2-diphenyl-ethene (103-30-0) → (R,S)-1,2-diphenylethylamine (25611-78-3)

Guidance literature:

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;

DOI:10.1002/anie.202016679

Reference yield: 93.0%

phenyl benzyl ketone (451-40-1) → (R,S)-1,2-diphenylethylamine (25611-78-3)

Guidance literature:

With ammonia; hydrogen; In water; at 130 ℃; for 24h; Autoclave;

DOI:10.1039/c9sc04963k

upstream raw materials:

phenyl benzyl ketone

ammonium formate

deoxybenzoin oxime

(1E,2E)-1,2-diphenylethane-1,2-dione bis(phenylhydrazone)

Downstream raw materials:

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

N,N-diethyl-N'-bibenzyl-α-yl-ethylenediamine

1,2-Diphenylethylisothiocyanate

2-amino-1,2-diphenylethanone

Refernces

• 1、 Du, Yi-Dan,Chen, Bi-Hong,Shu, Wei. "Direct Access to Primary Amines from Alkenes by Selective Metal-Free Hydroamination". supporting information. p. 9875 - 9880. Retrieved 2021/03/29.
• 2、 Beller, Matthias,Chandrashekhar, Vishwas G.,Gawande, Manoj B.,Jagadeesh, Rajenahally V.,Kalevaru, Narayana V.,Kamer, Paul C. J.,Senthamarai, Thirusangumurugan,Zbo?il, Radek. "Ultra-small cobalt nanoparticles from molecularly-defined Co-salen complexes for catalytic synthesis of amines". . p. 2973 - 2981. Retrieved 2020/03/27.