N-ethyl-4-phenylbutylamine

Base Information

• Chemical Name: N-ethyl-4-phenylbutylamine
• CAS No.: 34059-12-6
• Molecular Formula: C12H19N
• Molecular Weight: 177.29
• DSSTox Substance ID: DTXSID401318844
• Nikkaji Number: J1.040.713C

Synonyms:N-Ethyl-benzenebutanamine;34059-12-6;N-ethyl-4-phenylbutylamine;N-Ethylbenzenebutanamine;SCHEMBL3429617;N-Ethyl-4-phenyl-1-butanamine;DTXSID401318844;F79519

Chemical Property of N-ethyl-4-phenylbutylamine

Chemical Property:

• Boiling Point: 90 - 94 °C (0.3 mmHg)
• PSA: 12.03000
• LogP: 3.00970
• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 6
• Exact Mass: 177.151749610
• Heavy Atom Count: 13
• Complexity: 106

Purity/Quality:

95%-98% ^*data from raw suppliers

N-Ethyl-benzenebutanamine 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCNCCCCC1=CC=CC=C1

Technology Process of N-ethyl-4-phenylbutylamine

There total 5 articles about N-ethyl-4-phenylbutylamine 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: 98.0%

4-phenyl-1-butylamine (13214-66-9) + acetonitrile (75-05-8,26809-02-9) → N-ethyl-4-phenylbutylamine (34059-12-6)

Guidance literature:

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

DOI:10.1039/c1ob06303k

Reference yield: 90.0%

N-ethyl-4-phenylbutanamide → N-ethyl-4-phenylbutylamine (34059-12-6)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; for 0.5h; Ambient temperature;

DOI:10.1248/cpb.39.3225

Reference yield: 56.0%

N-(4-phenylbutyl)acetamide (34059-11-5) → N-ethyl-4-phenylbutylamine (34059-12-6)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; Heating;

DOI:10.1002/(SICI)1521-4184(199812)331:12<395::AID-ARDP395>3.0.CO;2-7

upstream raw materials:

1-Chloro-4-phenylbutane

ethylamine

N-(4-phenylbutyl)acetamide

4-phenyl-1-butylamine

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