N,N-Diethylphenethylamine

Base Information

• Chemical Name: N,N-Diethylphenethylamine
• CAS No.: 5300-21-0
• Molecular Formula: C12H19N
• Molecular Weight: 177.29
• UNII: 6SRW0NRG0F
• Nikkaji Number: J381.711C
• Wikidata: Q27265456
• Mol file: 5300-21-0.mol

Synonyms:N,N-Diethylphenethylamine;5300-21-0;N,N-diethyl-2-phenylethanamine;Diethyl(phenethyl)amine;N-Phenethyldiethylamine;6SRW0NRG0F;N,N-Diethylbenzeneethanamine;Phenethylamine, N,N-diethyl-;N,N-Diethyl-2-phenylethylamine;Benzeneethanamine, N,N-diethyl-;N,N-diethyl-2-phenylethan-1-amine;UNII-6SRW0NRG0F;DIETHYL(2-PHENYLETHYL)AMINE;J381.711C;N,N-Diethyl-2-phenylethylamine HCl;Benzeneethanamine, N,N-diethyl-,;SCHEMBL443493;N,N-diethyl-(2-phenylethyl)amine;ADAL1185326;Q27265456;N,N-Diethylphenethylamine (N,N-Diethyl-2-phenylethylamine)

Chemical Property of N,N-Diethylphenethylamine

Chemical Property:

• Boiling Point: 102 - 104 °C (10 mmHg)
• PSA: 3.24000
• LogP: 2.57090
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 177.151749610
• Heavy Atom Count: 13
• Complexity: 112

Purity/Quality:

98%Min ^*data from raw suppliers

N,N-Diethyl-2-phenylethanamine 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN(CC)CCC1=CC=CC=C1

Technology Process of N,N-Diethylphenethylamine

There total 24 articles about N,N-Diethylphenethylamine 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: 90.0%

phenethylamine (64-04-0) + acetonitrile (75-05-8,26809-02-9) → N,N-diethylphenethylamine (5300-21-0)

Guidance literature:

With palladium 10% on activated carbon; ammonium acetate; hydrogen; In methanol; at 20 ℃; for 24h; under 760.051 Torr;

DOI:10.1039/c1ob06303k

Reference yield: 86.2%

sodium tris(acetoxy)borohydride (56553-60-7) + phenethylamine (64-04-0) → methyl-N-(benzyl-methyl)-formamide (877-95-2) + N,N-diethylphenethylamine (5300-21-0)

Guidance literature:

In acetonitrile; at 60 ℃; for 15h;

DOI:10.1016/j.tetlet.2020.151919

Reference yield: 85.0%

N,N-diethylphenylacetamide (2431-96-1) → N,N-diethylphenethylamine (5300-21-0) + (E)-N,N-diethyl-2-phenylethen-1-amine (82489-29-0)

Guidance literature:

With chlorocarbonylbis(triphenylphosphine)iridium(I); 1,1,3,3-Tetramethyldisiloxane; In toluene; at 25 ℃; for 0.5h; Reagent/catalyst; Solvent; Concentration; Time; stereoselective reaction; Reactivity; Inert atmosphere;

DOI:10.1039/b821317h

upstream raw materials:

N,N-diethylphenylacetamide

phenylacetonitrile

diethylamine

1-phenyl-2-bromoethane

Downstream raw materials:

ethyl-phenethyl-carbamonitrile

ethyl bromide

1-phenyl-2-bromoethane

diethyl-(4-amino-phenethyl)-amine

Refernces

• 1、 Ai, Qiuhong,Jian, Jian,Liu, Pingle,Luo, He'an,Wen, Jingbin,You, Kuiyi,Zhao, Fangfang. "AlCl3 immobilized on silicic acid as efficient Lewis acid catalyst for highly selective preparation of dicyclohexylamine from the vapor phase hydroamination of cyclohexene with cyclohexylamine". . . Retrieved 2020/07/21.
• 2、 Peruzzi, Michael T.,Mei, Qiong Qiong,Lee, Stephen J.,Gagné, Michel R.. "Chemoselective amide reductions by heteroleptic fluoroaryl boron Lewis acids". supporting information. p. 5855 - 5858. Retrieved 2018/06/13.