Hex-5-yn-1-amine

Base Information

• Chemical Name: Hex-5-yn-1-amine
• CAS No.: 15252-45-6
• Molecular Formula: C6 H11N
• Molecular Weight: 97.16
• Hs Code.: 2921199990
• European Community (EC) Number: 817-063-2
• DSSTox Substance ID: DTXSID90903798
• Nikkaji Number: J982.910E
• Mol file: 15252-45-6.mol

Synonyms:Hex-5-yn-1-amine;5-Hexyn-1-amine;15252-45-6;6-amino-1-hexyne;1-aminohex-5-yne;Hex-5-ynylamine;6-aminohex-1-yne;6-amino-hex-1-yne;NoName_4549;DTXSID90903798;ONUHRYKLJYSRMY-UHFFFAOYSA-N;MFCD09923614;AKOS012954730;CS-0106594;D76652;EN300-148400;A848808

Chemical Property of Hex-5-yn-1-amine

Chemical Property:

• Boiling Point: 50 °C(Press: 25 Torr)
• PKA: 10.22±0.10(Predicted)
• PSA: 26.02000
• Density: 0.844±0.06 g/cm3(Predicted)
• LogP: 1.44890
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 97.089149355
• Heavy Atom Count: 7
• Complexity: 67.5

Purity/Quality:

99.90% ^*data from raw suppliers

Hex-5-yn-1-amine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C#CCCCCN

Technology Process of Hex-5-yn-1-amine

There total 14 articles about Hex-5-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: 96.0%

1-chloro-5-hexyne (10297-06-0) → 1-amino-5-hexyne (15252-45-6)

Guidance literature:

1-chloro-5-hexyne; With potassium phtalimide; potassium iodide; In N,N-dimethyl-formamide; at 80 ℃; for 20h;

With hydrazine hydrate; In water; N,N-dimethyl-formamide; at 70 ℃; for 2h;

Reference yield: 96.0%

2-(hex-5-yn-1-yl)isoindole-1,3-dione (6097-08-1) → 1-amino-5-hexyne (15252-45-6)

Guidance literature:

With hydrazine; In methanol;

DOI:10.1016/j.bmcl.2012.02.027

Reference yield: 86.0%

5-hexynonitrile (14918-21-9) → 1-amino-5-hexyne (15252-45-6)

Guidance literature:

With sodium tetrahydroborate; In water; at 100 ℃; for 7h; pH=5.5;

DOI:10.1002/cctc.201300984

upstream raw materials:

1-iodo-5-hexyne

1-chloro-5-hexyne

sodium acetylide

4-bromo-n-butan-1-amine hydrobromide

Downstream raw materials:

6-(N,N-dibenzylamino)-1-hexyne

2-[1-Phenyl-meth-(E)-ylidene]-1-(toluene-4-sulfonyl)-piperidine

C₁₄H₁₈N₂O

C₃₃H₃₉N₃O₆S₂

Refernces

• 1、 Barglow, Katherine T.,Cravatt, Benjamin F.. "Substrate mimicry in an activity-based probe that targets the nitrilase family of enzymes". . p. 7408 - 7411. Retrieved 2006.
• 2、 Huang, Boxuan,Li, Weijia,Mu, Yu,Shao, Liang,Su, Yangqing,Sun, Mengsi,Xu, Huan,Yang, Fan,Yu, Fei,Zhang, Jihong,Zhang, Yuan. "Design and Synthesis of Oleanolic Acid Trimers to Enhance Inhibition of Influenza Virus Entry". . p. 1759 - 1765. Retrieved 2021/11/18.
• 3、 Kikuchi, Kohei,Tatewaki, Yoko,Okada, Shuji. "Self-assembly and solid-state polymerization of butadiyne derivatives with amide and trialkoxyphenyl groups". supporting information. p. 298 - 305. Retrieved 2017/05/10.