1-Octyn-3-one

Base Information

Chemical Name:1-Octyn-3-one
CAS No.:27593-19-7
Molecular Formula:C8H12O
Molecular Weight:124.183
Hs Code.:
DSSTox Substance ID:DTXSID80456046
Nikkaji Number:J330.536H
Wikidata:Q82278247

Synonyms:1-Octyn-3-one;Oct-1-yn-3-one;27593-19-7;SCHEMBL996889;DTXSID80456046;OIWBNCGEFFHTNG-UHFFFAOYSA-N

Suppliers and Price of 1-Octyn-3-one

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 9 raw suppliers

Chemical Property of 1-Octyn-3-one

Chemical Property:

XLogP3:2.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:4
Exact Mass:124.088815002
Heavy Atom Count:9
Complexity:127

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCCC(=O)C#C

Technology Process of 1-Octyn-3-one

There total 7 articles about 1-Octyn-3-one 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: 99.0%

: 818-72-4,37911-28-7
1-Octyn-3-ol

: 27593-19-7
oct-1-yn-3-one

Guidance literature:: With Oxone; sodium ortho-iodobenzenesulfonate; In acetonitrile; at 70 ℃; for 1h;

Reference yield: 51.0%

: 629-05-0
n-octyne

: 27593-19-7
oct-1-yn-3-one

Guidance literature:: With tert.-butylhydroperoxide; oxygen; CuCl₂*2H₂O; In tert-butyl alcohol; at 70 ℃; for 24h; under 760.051 Torr;
DOI:10.1021/jo015534c

Reference yield:

: 629-05-0
n-octyne

: 818-72-4,37911-28-7
1-Octyn-3-ol

: 64-18-6
formic acid

: 111-14-8
oenanthic acid

: 27593-19-7
oct-1-yn-3-one

Guidance literature:: With copper acetylacetonate; N-hydroxyphthalimide; oxygen; In acetonitrile; at 70 ℃; for 20h; under 760 Torr; Yield given;
DOI:10.1039/a804956d