N-(2-amino-1-phenylethyl)-N,N-diethylamine

Base Information

• Chemical Name: N-(2-amino-1-phenylethyl)-N,N-diethylamine
• CAS No.: 31788-97-3
• Molecular Formula: C₁₂H₂₀N₂
• Molecular Weight: 192.304
• European Community (EC) Number: 822-721-7
• DSSTox Substance ID: DTXSID30397475
• Mol file: 31788-97-3.mol

Synonyms:31788-97-3;N-(2-amino-1-phenylethyl)-N,N-diethylamine;(2-amino-1-phenylethyl)diethylamine;N,N-diethyl-1-phenylethane-1,2-diamine;N1,N1-diethyl-1-phenylethane-1,2-diamine;N~1~,N~1~-diethyl-1-phenylethane-1,2-diamine;HMS1704N01;SCHEMBL17803383;DTXSID30397475;ZXCVEIVPQIPKIO-UHFFFAOYSA-N;MFCD06655136;STK664113;AKOS000200884;AKOS016042068;BB 0218480;CS-0231258;FT-0678756;EN300-10761;N1,N1-Diethyl-1-phenyl-ethane-1,2-diamine;J-018540;J-522856;Z56347584

Chemical Property of N-(2-amino-1-phenylethyl)-N,N-diethylamine

Chemical Property:

• Vapor Pressure: 0.0157mmHg at 25°C
• Boiling Point: 256°Cat760mmHg
• Flash Point: 104.5°C
• Density: 0.961g/cm³
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 192.162648646
• Heavy Atom Count: 14
• Complexity: 137

Purity/Quality:

98%Min ^*data from raw suppliers

N*1*,N*1*-Diethyl-1-phenyl-ethane-1,2-diamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN(CC)C(CN)C1=CC=CC=C1

Technology Process of N-(2-amino-1-phenylethyl)-N,N-diethylamine

There total 2 articles about N-(2-amino-1-phenylethyl)-N,N-diethylamine 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:

α-diethylaminophenylacetonitrile (5097-99-4) → N1,N1-diethyl-1-phenyl-1,2-ethanediamine (31788-97-3)

Guidance literature:

With lithium aluminium tetrahydride; diethyl ether;

Reference yield:

→ N1,N1-diethyl-1-phenyl-1,2-ethanediamine (31788-97-3)

Guidance literature:

1-Phenyl-1-diethylaminoacetonitril, LiAlH4;

DOI:10.1016/S0040-4020(01)92505-0

Reference yield: 38.0%

N1,N1-diethyl-1-phenyl-1,2-ethanediamine (31788-97-3) + 4-[(methyl-sulfonyl)amino]benzoyl chloride (63421-72-7) → N-<2-(diethylamino)-2-phenylethyl>-4-<(methylsulfonyl)amino>benzamide (123507-55-1)

Guidance literature:

In tetrahydrofuran; for 17h;

DOI:10.1021/jm00164a025

upstream raw materials:

α-diethylaminophenylacetonitrile

Downstream raw materials:

N-<2-(diethylamino)-2-phenylethyl>-4-<(methylsulfonyl)amino>benzamide