N-benzyl-4-ethylaniline

Base Information

• Chemical Name: N-benzyl-4-ethylaniline
• CAS No.: 109240-32-6
• Molecular Formula: C15H17N
• Molecular Weight: 211.307
• DSSTox Substance ID: DTXSID70428979
• Nikkaji Number: J2.403.182I
• Wikidata: Q82241847
• ChEMBL ID: CHEMBL2296100
• Mol file: 109240-32-6.mol

Synonyms:N-benzyl-4-ethylaniline;109240-32-6;benzyl(4-ethylphenyl)amine;CHEMBL2296100;SCHEMBL856236;DTXSID70428979;WKPODACDMVTDPU-UHFFFAOYSA-N;BDBM50489093;MFCD04477537;AKOS000238733

Chemical Property of N-benzyl-4-ethylaniline

Chemical Property:

• PSA: 12.03000
• LogP: 3.93410
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 211.136099547
• Heavy Atom Count: 16
• Complexity: 176

Purity/Quality:

97% ^*data from raw suppliers

Benzenemethanamine,N-(4-ethylphenyl)- 95 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=CC=C(C=C1)NCC2=CC=CC=C2

Technology Process of N-benzyl-4-ethylaniline

There total 18 articles about N-benzyl-4-ethylaniline 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: 99.0%

4-aminoethylbenzene (589-16-2) + benzyl alcohol (100-51-6,185532-71-2) → N-benzyl-4-ethylaniline (109240-32-6)

Guidance literature:

With C₅₅H₄₃ClN₅P₂Ru⁽¹⁺⁾*Cl^(1-); potassium hydroxide; In toluene; at 140 ℃; for 2h; Sealed tube;

DOI:10.1002/ejoc.201700486

Reference yield: 95.0%

4-ethylnitrobenzene (100-12-9,94234-68-1,34527-20-3) + benzaldehyde (100-52-7) → N-benzyl-4-ethylaniline (109240-32-6)

Guidance literature:

4-ethylnitrobenzene; With hydrogen; In methanol; at 20 ℃; for 5.5h; under 760.051 Torr;

benzaldehyde; With hydrogen; In methanol; at 20 ℃; for 2.5h; under 760.051 Torr;

DOI:10.1016/j.apcata.2011.05.010

Reference yield: 91.0%

N-benzyl-4-ethynylaniline → N-benzyl-4-ethylaniline (109240-32-6)

Guidance literature:

With copper(ll) sulfate pentahydrate; 2.9-dimethyl-1,10-phenanthroline; hydrazine hydrate; In ethanol; at 78 ℃; for 15h;

DOI:10.1021/acs.joc.1c01803

upstream raw materials:

N-benzylidene-4-ethylaniline

1-bromo-4-ethylbenzene

benzylamine

4-ethylnitrobenzene

Downstream raw materials:

N¹,N⁴-dibenzyl-N¹,N⁴-bis(4-ethylphenyl)fumaramide

N-benzyl-N'-(2,6-diisopropylphenyl)-N-(4-ethylphenyl)urea