Benzenemethanamine, N-(phenylmethyl)-N-2-propynyl-

Base Information

• Chemical Name: Benzenemethanamine, N-(phenylmethyl)-N-2-propynyl-
• CAS No.: 68452-41-5
• Molecular Formula: C17H17N
• Molecular Weight: 235.329
• DSSTox Substance ID: DTXSID90449909
• Nikkaji Number: J1.225.276E
• Wikidata: Q82269449
• ChEMBL ID: CHEMBL4871798

Synonyms:68452-41-5;Benzenemethanamine, N-(phenylmethyl)-N-2-propynyl-;CHEMBL4871798;Benzenemethanamine, N-(phenylmethyl)-N-2-propyn-1-yl-;N,N-dibenzylprop-2-yn-1-amine;Propargyldibenzylamine;SCHEMBL1174217;DTXSID90449909;BDBM50573299;AKOS008716064;DIBENZYL(PROP-2-YN-1-YL)AMINE;D87068

Chemical Property of Benzenemethanamine, N-(phenylmethyl)-N-2-propynyl-

Chemical Property:

• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 235.136099547
• Heavy Atom Count: 18
• Complexity: 243

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C#CCN(CC1=CC=CC=C1)CC2=CC=CC=C2

Technology Process of Benzenemethanamine, N-(phenylmethyl)-N-2-propynyl-

There total 11 articles about Benzenemethanamine, N-(phenylmethyl)-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: 94.0%

propargyl bromide (106-96-7) + dibenzylamine (103-49-1) → N,N-dibenzylpropargylamine (68452-41-5)

Guidance literature:

dibenzylamine; With sodium hydride; In tetrahydrofuran; at -78 - 20 ℃; for 2h; Inert atmosphere;

propargyl bromide; In tetrahydrofuran; at 20 ℃; Inert atmosphere; Cooling with ice;

DOI:10.1016/j.bmcl.2014.10.015

Reference yield: 93.0%

N,N-dibenzyl-N-(2-bromo-2-propenyl)amine (98074-83-0) → N,N-dibenzylpropargylamine (68452-41-5)

Guidance literature:

With sodium hydride; dimethyl sulfoxide; at 80 ℃; for 3h;

DOI:10.1021/jo035759i

Reference yield: 73.0%

N-cyclohexyl-N-(prop-2-yn-1-yl)cyclohexanamine + dibenzylamine (103-49-1) → N,N-dibenzylpropargylamine (68452-41-5)

Guidance literature:

With copper(I) bromide; In tetrahydrofuran; at 100 ℃; for 48h; Inert atmosphere;

DOI:10.1021/ja9109055

upstream raw materials:

propargyl bromide

dibenzylamine

N,N-dibenzyl-N-(2-bromo-2-propenyl)amine

benzyl bromide

Downstream raw materials:

1-N,N-dibenzylamino-1-propyne

Dibenzyl-(3-trimethylsilanyl-prop-2-ynyl)-amine

(2S)-6-(N,N-dibenzylamino)-2-(para-toluenesulfonylamino)-hex-4-ynoic acid

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