Benzenemethanamine, N-2-propenyl-N-2-propynyl-

Base Information

• Chemical Name: Benzenemethanamine, N-2-propenyl-N-2-propynyl-
• CAS No.: 119548-50-4
• Molecular Formula: C13H15N
• Molecular Weight: 185.269
• DSSTox Substance ID: DTXSID90455762
• Nikkaji Number: J825.947J
• Wikidata: Q82277889
• Mol file: 119548-50-4.mol

Synonyms:Benzenemethanamine, N-2-propenyl-N-2-propynyl-;119548-50-4;Allylpropargylbenzylamine;DTXSID90455762

Chemical Property of Benzenemethanamine, N-2-propenyl-N-2-propynyl-

Chemical Property:

• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 185.120449483
• Heavy Atom Count: 14
• Complexity: 205

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C=CCN(CC#C)CC1=CC=CC=C1

Technology Process of Benzenemethanamine, N-2-propenyl-N-2-propynyl-

There total 3 articles about Benzenemethanamine, N-2-propenyl-N-2-propynyl- 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: 69.0%

Allylbenzylamine (4383-22-6) + propargyl bromide (106-96-7) → N-benzyl-N-(prop-2-ynyl)prop-2-en-1-amine (119548-50-4)

Guidance literature:

With potassium carbonate; In acetonitrile; Reflux;

DOI:10.1021/ja902478p

Reference yield: 46.0%

allylpropargylamine (42268-68-8) + benzyl bromide (100-39-0) → N-benzyl-N-(prop-2-ynyl)prop-2-en-1-amine (119548-50-4)

Guidance literature:

With triethylamine; at 95 ℃;

DOI:10.1016/S0040-4039(00)79420-2

Reference yield:

benzyl bromide (100-39-0) → N-benzyl-N-(prop-2-ynyl)prop-2-en-1-amine (119548-50-4)

Guidance literature:

Multi-step reaction with 2 steps

1: 92 percent / 16 h / Ambient temperature

2: 60 percent / NaH / tetrahydrofuran / 16 h

With sodium hydride; In tetrahydrofuran;

DOI:10.1021/jo9519930

upstream raw materials:

allylpropargylamine

benzyl bromide

Allylbenzylamine

propargyl bromide

Downstream raw materials:

N-benzyl-5-methylene-1,2,5,6-tetrahydropyridine

N-allyl-N-benzyl-N-(3-iodoprop-2(E)-enyl)amine

1-(3-Benzyl-3-aza-bicyclo[3.1.0]hex-1-yl)-propan-2-one

2-(3-(allyl(benzyl)amino)prop-1-ynyl)-N,N-dimethylaniline