n,n-Diethylhept-2-yn-1-amine

Base Information

• Chemical Name: n,n-Diethylhept-2-yn-1-amine
• CAS No.: 19689-20-4
• Molecular Formula: C₁₁H₂₁N
• Molecular Weight: 167.294
• NSC Number: 88231
• DSSTox Substance ID: DTXSID80293276
• Nikkaji Number: J2.094.303C
• Wikidata: Q82031954
• Mol file: 19689-20-4.mol

Synonyms:19689-20-4;n,n-diethylhept-2-yn-1-amine;NSC88231;NCIOpen2_001561;DTXSID80293276;NSC-88231

Chemical Property of n,n-Diethylhept-2-yn-1-amine

Chemical Property:

• Vapor Pressure: 0.114mmHg at 25°C
• Boiling Point: 220.3°C at 760 mmHg
• Flash Point: 79°C
• Density: 0.833g/cm³
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 167.167399674
• Heavy Atom Count: 12
• Complexity: 145

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC#CCN(CC)CC

Technology Process of n,n-Diethylhept-2-yn-1-amine

There total 7 articles about n,n-Diethylhept-2-yn-1-amine 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%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + diethylamine (109-89-7) + hex-1-yne (693-02-7) → N,N-diethylhept-2-yn-1-amine (19689-20-4)

Guidance literature:

copper(l) iodide; In water; dimethyl sulfoxide; at 30 ℃; for 20h;

DOI:10.1016/j.tetlet.2004.09.079

Reference yield: 90.0%

dichloromethane (75-09-2) + 1-Heptyne (628-71-7) + diethylamine (109-89-7) → N,N-diethylhept-2-yn-1-amine (19689-20-4)

Guidance literature:

With 1,8-diazabicyclo[5.4.0]undec-7-ene; copper(l) chloride; In water; at 60 ℃; for 24h; Inert atmosphere;

DOI:10.1002/adsc.201000691

Reference yield: 87.0%

dichloromethane (75-09-2) + diethylamine (109-89-7) + hex-1-yne (693-02-7) → N,N-diethylhept-2-yn-1-amine (19689-20-4)

Guidance literature:

With 1,8-diazabicyclo[5.4.0]undec-7-ene; copper(l) chloride; In acetonitrile; at 60 ℃; for 14h; Inert atmosphere;

upstream raw materials:

1,4-dioxane

formaldehyd

diethylamine

hex-1-yne