1-Diethylamino-2-butyne

Base Information

• Chemical Name: 1-Diethylamino-2-butyne
• CAS No.: 6323-82-6
• Molecular Formula: C8H15N
• Molecular Weight: 125.2114
• Hs Code.: 2921199090
• European Community (EC) Number: 679-399-4
• NSC Number: 34135
• DSSTox Substance ID: DTXSID50212611
• Nikkaji Number: J957.747E
• Wikidata: Q83087754
• Mol file: 6323-82-6.mol

Synonyms:1-Diethylamino-2-butyne;6323-82-6;N,N-diethylbut-2-yn-1-amine;(But-2-yn-1-yl)diethylamine;N,N-Diethyl-2-butyn-1-amine;NSC34135;SCHEMBL936173;DTXSID50212611;GZDWCJZYZWTVCL-UHFFFAOYSA-N;N,N-Diethyl-2-butyn-1-amine #;MFCD00041616;NSC 34135;NSC-34135;AKOS006229296;CS-0250269;FT-0607700;EN300-5027821

Chemical Property of 1-Diethylamino-2-butyne

Chemical Property:

• Appearance/Colour: Colorless to yellow Liquid
• Vapor Pressure: 0.377mmHg at 25°C
• Melting Point: −4 °C(lit.)
• Refractive Index: n20/D 1.483(lit.)
• Boiling Point: 154.8 °C at 760 mmHg
• PKA: 8.47±0.25(Predicted)
• Flash Point: 39.7 °C
• PSA: 3.24000
• Density: 0.828 g/cm³
• LogP: 1.35150
• Storage Temp.: 2-8°C
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 125.120449483
• Heavy Atom Count: 9
• Complexity: 111

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s): R10:Flammable.; R34:Causes burns.
• Hazard Codes: T
• Statements: 45-21-25
• Safety Statements: 53-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN(CC)CC#CC

Technology Process of 1-Diethylamino-2-butyne

There total 2 articles about 1-Diethylamino-2-butyne 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:

diethyl-(2-bromo-allyl)-amine (13249-59-7) → but-2-ynyldiethylamine (6323-82-6)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium amide; liquid ammonia

2: sodium amide; liquid ammonia

With ammonia; sodium amide;

DOI:10.1021/ja01162a010

Reference yield:

N,N-diethyl-2-propynylamine (4079-68-9,125678-52-6) + methyl iodide (74-88-4) → but-2-ynyldiethylamine (6323-82-6)

Guidance literature:

With ammonia; sodium amide;

DOI:10.1021/ja01162a010

Reference yield: 70.0%

but-2-ynyldiethylamine (6323-82-6) + benzyl azide (622-79-7) → (3-benzyl-5-methyl-3H-[1,2,3]triazol-4-ylmethyl)diethylamine

Guidance literature:

chloro(cyclopentadienyl)bis(triphenylphosphine)ruthenium (II); In benzene; at 80 ℃; for 2.5h;

DOI:10.1021/jo061688m

upstream raw materials:

N,N-diethyl-2-propynylamine

methyl iodide

diethyl-(2-bromo-allyl)-amine