Cyclooctane-1,3-dione

Base Information

Chemical Name:Cyclooctane-1,3-dione
CAS No.:935-29-5
Molecular Formula:C8H12O2
Molecular Weight:140.182
Hs Code.:2914299000
DSSTox Substance ID:DTXSID10454151
Nikkaji Number:J416.502K
Wikidata:Q82275503
Mol file:935-29-5.mol

Synonyms:Cyclooctane-1,3-dione;935-29-5;1,3-Cyclooctadione;SCHEMBL2047984;DTXSID10454151

Suppliers and Price of Cyclooctane-1,3-dione

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
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price

Total 20 raw suppliers

Chemical Property of Cyclooctane-1,3-dione

Chemical Property:

Melting Point:56-58 °C
Boiling Point:267.379 °C at 760 mmHg
PKA:9.56±0.20(Predicted)
Flash Point:98.996 °C
PSA：34.14000
Density:1.039 g/cm³
LogP:1.47880
XLogP3:0.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:0
Exact Mass:140.083729621
Heavy Atom Count:10
Complexity:133

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CCC(=O)CC(=O)CC1
General Description 1,3-Cyclooctadione, also known as cyclooctane-1,3-dione, is a key synthetic intermediate used in the preparation of difluorinated cyclooctyne, a compound employed in copper-free click chemistry for bioorthogonal reactions. Its synthesis has been achieved on a large scale through a five-step process, culminating in a Wacker-Tsuji oxidation to form the cyclic 1,3-dione structure. This advancement facilitates broader accessibility to difluorinated cyclooctyne for applications in chemical biology and materials science.

Technology Process of Cyclooctane-1,3-dione

There total 28 articles about Cyclooctane-1,3-dione 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: 73.0%

: 80893-84-1
1,7-bis(trimethylsiloxy)bicyclo[5.1.0]octane

: 935-29-5
1,3-cyclooctanedione

Guidance literature:: With iron(III) chloride; In N,N-dimethyl-formamide; at 60 ℃; for 16h;
DOI:10.1021/jo00392a020

Reference yield: 52.0%

: 57260-84-1
9-oxabicyclo[6.1.0]nonan-2-one

: 935-29-5
1,3-cyclooctanedione

Guidance literature:: With tetrakis(triphenylphosphine) palladium⁽⁰⁾; 1,2-bis-(diphenylphosphino)ethane; In toluene; at 140 ℃; for 96h;
DOI:10.1021/ja00526a059