5-Hexyne-1,4-diamine

Base Information

• Chemical Name: 5-Hexyne-1,4-diamine
• CAS No.: 69355-11-9
• Molecular Formula: C₆H₁₂N₂
• Molecular Weight: 112.175
• DSSTox Substance ID: DTXSID10989110
• Mol file: 69355-11-9.mol

Synonyms:5-hexyne-1,4-diamine;RMI 71696;RMI-71696

Chemical Property of 5-Hexyne-1,4-diamine

Chemical Property:

• Vapor Pressure: 0.259mmHg at 25°C
• Boiling Point: 204.8°C at 760 mmHg
• Flash Point: 89.5°C
• PSA: 52.04000
• Density: 0.942g/cm³
• LogP: 1.08640
• XLogP3: -0.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 112.100048391
• Heavy Atom Count: 8
• Complexity: 89.9

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C#CC(CCCN)N

Technology Process of 5-Hexyne-1,4-diamine

There total 2 articles about 5-Hexyne-1,4-diamine 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-trimethylsilyl-N-benzylidene-3-aminoprop-1-yne (57790-32-6) + N-(benzylidene)-3-bromopropylamine (69390-84-7) → hex-5-yne-1,4-diamine (69355-11-9)

Guidance literature:

Multistep reaction; (i) nBuLi, (ii) aq. HCl;

DOI:10.1021/ja00476a050

Reference yield:

→ hex-5-yne-1,4-diamine (69355-11-9)

Guidance literature:

entspr. Iminopropin, Bromiminopropan;

upstream raw materials:

1-trimethylsilyl-N-benzylidene-3-aminoprop-1-yne

N-(benzylidene)-3-bromopropylamine

Refernces

Catalytic Irreversible Inhibition of Mammalian Ornithine Decarboxylase (E.C. 4.1.1.17) by Substrate and Product Analogues

10.1021/ja00476a050

The study investigates the catalytic irreversible inhibition of mammalian ornithine decarboxylase (ODC) by substrate and product analogues. The chemicals involved include the diamine putrescine and the polyamines spermidine and spermine, which are implicated in growth regulation. The researchers synthesized and tested various inhibitors, such as 5-hexyne-1,4-diamine (2) and trans-hex-2-en-5-yne-1,4-diamine (3), to determine their effects on ODC. They found that these compounds irreversibly inactivated ODC by forming covalent bonds with the enzyme's active site. The study also explores the mechanisms of inhibition, proposing that the inhibitors are activated by the enzyme itself, leading to the formation of reactive intermediates that bind to the enzyme. This research provides valuable insights into the design of specific, irreversible inhibitors for ODC and other decarboxylases, which could have significant implications for understanding the biological roles of polyamines and for potential therapeutic applications.