Di-but-2-ynyl-amine

Base Information

• Chemical Name: Di-but-2-ynyl-amine
• CAS No.: 53146-06-8
• Molecular Formula: C₈H₁₁N
• Molecular Weight: 121.182
• Hs Code.: 2921199090
• DSSTox Substance ID: DTXSID30389850
• Wikidata: Q82186058
• Mol file: 53146-06-8.mol

Synonyms:Di-but-2-ynyl-amine;53146-06-8;N-but-2-ynylbut-2-yn-1-amine;dibut-2-ynylamine;Di(but-2-yn-1-yl)amine;Di-but-2-ynylamine;SCHEMBL1880159;DTXSID30389850;N-2-Butyn-1-yl-2-butyn-1-amine;AKOS000300365;N-(but-2-yn-1-yl)but-2-yn-1-amine;FT-0676689

Chemical Property of Di-but-2-ynyl-amine

Chemical Property:

• Vapor Pressure: 0.543mmHg at 25°C
• Boiling Point: 190.4 °C at 760 mmHg
• PKA: 5.92±0.10(Predicted)
• Flash Point: 64.9 °C
• PSA: 12.03000
• Density: 0.89 g/cm³
• LogP: 1.01350
• XLogP3: 1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 121.089149355
• Heavy Atom Count: 9
• Complexity: 156

Purity/Quality:

98%min ^*data from raw suppliers

Di-but-2-ynyl-amine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC#CCNCC#CC

Technology Process of Di-but-2-ynyl-amine

There total 1 articles about Di-but-2-ynyl-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:

1-Bromo-2-butyne (3355-28-0) → N-(but-2-yn-1-yl)but-2-yn-1-amine (53146-06-8)

Guidance literature:

With ammonia; In ethanol;

DOI:10.1016/0040-4020(73)80246-7

Reference yield: 72.0%

thirane (420-12-2) + N-(but-2-yn-1-yl)but-2-yn-1-amine (53146-06-8) → 2-(Di-but-2-ynyl-amino)-ethanethiol (75606-38-1)

Guidance literature:

In benzene; at 100 ℃; for 2h;

upstream raw materials:

1-Bromo-2-butyne

Downstream raw materials:

2-(Di-but-2-ynyl-amino)-ethanethiol