Isoegomaketone

Base Information

Chemical Name:Isoegomaketone
CAS No.:3253-49-4
Molecular Formula:C10H12O2
Molecular Weight:
Hs Code.:
UNII:N8LS3K868H
DSSTox Substance ID:DTXSID701266498
Nikkaji Number:J53.733K,J2.795.562B
Wikidata:Q76303526
Metabolomics Workbench ID:47191
ChEMBL ID:CHEMBL3357563

Synonyms:1-(furan-3-yl)-4-methylpent-2-en-1-one;isoegomaketone

Suppliers and Price of Isoegomaketone

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 4 raw suppliers

Chemical Property of Isoegomaketone

Chemical Property:

XLogP3:2.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:164.083729621
Heavy Atom Count:12
Complexity:182

Purity/Quality:: 95% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)C=CC(=O)C1=COC=C1
Isomeric SMILES:CC(C)/C=C/C(=O)C1=COC=C1

Technology Process of Isoegomaketone

There total 7 articles about Isoegomaketone 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: 100.0%

: 3253-49-4,34348-59-9,108377-83-9
Z-isoegomaketone

: 3253-49-4,34348-59-9,108377-83-9
isoegomaketone

Guidance literature:: With hydrogen cation;
DOI:10.1016/S0040-4020(01)87356-7

Reference yield: 38.0%

: 72833-80-8,67382-49-4
(E)-3-(dimethylamino)-1-(furan-3-yl)prop-2-en-1-one

: 1888-75-1
isopropyllithium

: 3253-49-4,34348-59-9,108377-83-9
isoegomaketone

Guidance literature:: (E)-3-(dimethylamino)-1-(furan-3-yl)prop-2-en-1-one; isopropyllithium; In tetrahydrofuran; pentane; at -40 - 20 ℃; for 1h; Inert atmosphere;

With water; In tetrahydrofuran; pentane;
DOI:10.1007/s12272-011-0806-8

Reference yield:

: 78-84-2
isobutyraldehyde

: 465521-19-1
1-(3-furanyl)-2-(trimethylsilyl)acetylene

: 3253-49-4,34348-59-9,108377-83-9
isoegomaketone

: 3253-49-4,34348-59-9,108377-83-9
Z-isoegomaketone

Guidance literature:: isobutyraldehyde; 1-(3-furanyl)-2-(trimethylsilyl)acetylene; With tetrabutylammonium triphenyldifluorosilicate; In tetrahydrofuran; at 0 ℃; for 0.333333h;

With bis[(trifluoromethanesulfonyl)imidate]-2-(dicyclohexyl(2’,6’-dimethoxybiphenyl))phosphine gold(I); In methanol; toluene; at 20 ℃; optical yield given as %de;
DOI:10.1002/chem.201102830