7-Octyn-1-amine

Base Information

• Chemical Name: 7-Octyn-1-amine
• CAS No.: 14502-43-3
• Molecular Formula: C₈H₁₅N
• Molecular Weight: 125.214
• European Community (EC) Number: 870-305-9
• DSSTox Substance ID: DTXSID90902862
• Mol file: 14502-43-3.mol

Synonyms:7-Octyn-1-amine;14502-43-3;oct-7-yn-1-amine;7-Octynylamine (7CI,8CI);oct-7-yn-1-amine hydrochloride;7-octynylamine;NoName_3436;SCHEMBL130351;LCZC2351;DTXSID90902862;AKOS006333873;MS-21799;CS-0110134;D76981;EN300-7072317;A901001;A1-17780

Chemical Property of 7-Octyn-1-amine

Chemical Property:

• Vapor Pressure: 0.808mmHg at 25°C
• Boiling Point: 182.5±23.0 °C(Predicted)
• PKA: 10.60±0.10(Predicted)
• Density: 0.845±0.06 g/cm3(Predicted)
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 125.120449483
• Heavy Atom Count: 9
• Complexity: 88

Purity/Quality:

99% ^*data from raw suppliers

7-Octyn-1-amine 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C#CCCCCCCN

Technology Process of 7-Octyn-1-amine

There total 8 articles about 7-Octyn-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: 76.0%

2-(hept-6-yn-1-yl)isoindoline-1,3-dione (17170-26-2) → 8-aminooct-1-yne (14502-43-3)

Guidance literature:

With hydrazine hydrate; In ethanol; for 4h; Reflux; Inert atmosphere;

DOI:10.1021/ol801390h

Reference yield: 69.0%

6-bromohexylammonium bromide (90000-06-9) + lithium acetylide-ethylenediamine complex (1216963-74-4) → 8-aminooct-1-yne (14502-43-3)

Guidance literature:

In dimethyl sulfoxide; at 8 ℃; for 4h;

Reference yield:

oct-7-yn-1-ol (871-91-0) → 8-aminooct-1-yne (14502-43-3)

Guidance literature:

With L-alanin; D-glucose; pyridoxal 5'-phosphate; alanine dehydrogenase from B_. subtilis; catalase from M_. lysodeikticus; glucose dehydrogenase from DSM; long-chain alcohol oxidase from Aspergillus fumigatus; w-transaminase from Chromobacterium violaceum; NAD; oxygen; ammonium chloride; flavin adenine dinucleotide; In aq. phosphate buffer; at 20 ℃; for 24h; under 1500.15 Torr; pH=10; Enzymatic reaction;

DOI:10.1002/cctc.201500589

upstream raw materials:

8-bromooct-1-yne

sodium acetylide

6-bromo-1-aminohexane hydrobromide

6-amino-1-bromo-n-hexane

Downstream raw materials:

C₂₅H₃₀N₂

C₃₀H₃₈N₂O₂

Refernces

• 1、 Pickl, Mathias,Fuchs, Michael,Glueck, Silvia M.,Faber, Kurt. "Amination of ω-Functionalized Aliphatic Primary Alcohols by a Biocatalytic Oxidation-Transamination Cascade". . p. 3121 - 3124. Retrieved 2015/10/19.
• 2、 -. "Nicotine immunogen". Page column 9; 19-20. . Retrieved 2010/11/30.