N-(3-Phenylprop-2-yn-1-yl)aniline

Base Information

• Chemical Name: N-(3-Phenylprop-2-yn-1-yl)aniline
• CAS No.: 121194-51-2
• Molecular Formula: C15H13N
• Molecular Weight: 207.275
• DSSTox Substance ID: DTXSID20558179
• Nikkaji Number: J854.761K
• Wikidata: Q82440375
• Mol file: 121194-51-2.mol

Synonyms:121194-51-2;N-(3-Phenylprop-2-yn-1-yl)aniline;Benzenamine, N-(3-phenyl-2-propynyl)-;N-(3-phenylprop-2-ynyl)aniline;N-(3-phenyl-2-propynyl)aniline;DTXSID20558179;AKOS011624518;phenyl-(3-phenyl-prop-2-ynyl)-amine

Chemical Property of N-(3-Phenylprop-2-yn-1-yl)aniline

Chemical Property:

• XLogP3: 3.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 207.104799419
• Heavy Atom Count: 16
• Complexity: 245

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C#CCNC2=CC=CC=C2

Technology Process of N-(3-Phenylprop-2-yn-1-yl)aniline

There total 15 articles about N-(3-Phenylprop-2-yn-1-yl)aniline 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%

N-phenyl-N-prop-2-ynylamine (14465-74-8) + iodobenzene (591-50-4) → N-(3-phenylprop-2-ynyl)benzenamine (121194-51-2)

Guidance literature:

With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; triethylamine; for 10h; Inert atmosphere;

Reference yield: 88.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + phenylacetylene (536-74-3) + aniline (62-53-3) → N-(3-phenylprop-2-ynyl)benzenamine (121194-51-2)

Guidance literature:

With mesoporous iron doped TiO₂ nanoparticles; In neat (no solvent); at 60 ℃; Microwave irradiation; Inert atmosphere;

DOI:10.1016/j.apcata.2014.09.044

Reference yield: 81.0%

Phenylpropargyl aldehyde (2579-22-8) + aniline (62-53-3) → N-(3-phenylprop-2-ynyl)benzenamine (121194-51-2)

Guidance literature:

With formic acid; boron trifluoride diethyl etherate; In acetonitrile; at 85 ℃; for 1.5h; Green chemistry;

DOI:10.1039/d1gc01468d

upstream raw materials:

methoxymethylphenylamine

phenylacetylene

3-phenyl-2-propyn-1-yl methanesulfonate

aniline

Downstream raw materials:

C₂₁H₁₅NSe

N-(4-bromophenyl)-3-phenylprop-2-yn-1-amine

4-phenylquinoline

5-phenyl-3H-1,2-dithiole-3-thione