2,7-Dimethyloct-5-en-4-one

Base Information

Chemical Name:2,7-Dimethyloct-5-en-4-one
CAS No.:68419-46-5
Molecular Formula:C10H18O
Molecular Weight:154.252
Hs Code.:
European Community (EC) Number:270-267-8
UNII:5L2NZP42Y7
DSSTox Substance ID:DTXSID6071530
Nikkaji Number:J1.954.849J,J332.536I
Wikidata:Q76144454
Mol file:68419-46-5.mol

Synonyms:2,7-Dimethyloct-5-en-4-one;68419-46-5;5-Octen-4-one, 2,7-dimethyl-;2,7-Dimethyl-5-octen-4-one;2,7-Dimethyl-oct-5-en-4-one;5L2NZP42Y7;EINECS 270-267-8;(5E)-2,7-dimethyloct-5-en-4-one;(E)-2,7-dimethyloct-5-en-4-one;NSC-29896;2,7 - dimethyloct - 5 - en - 4 - one;UNII-5L2NZP42Y7;SCHEMBL3419635;DTXSID6071530;BBL028261;NSC 29896;STK801854;(E)-2,7-Dimethyl-5-octene-4-one;AKOS005622615;2,7-DIMETHYL-3-OCTEN-5-ONE;VS-08707

Suppliers and Price of 2,7-Dimethyloct-5-en-4-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 2,7-Dimethyloct-5-en-4-one

Chemical Property:

Vapor Pressure:0.19mmHg at 25°C
Boiling Point:210.7°Cat760mmHg
Flash Point:87.1°C
PSA：17.07000
Density:0.833g/cm³
LogP:2.81380
XLogP3:2.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:4
Exact Mass:154.135765193
Heavy Atom Count:11
Complexity:143

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of 2,7-Dimethyloct-5-en-4-one

There total 4 articles about 2,7-Dimethyloct-5-en-4-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:

: 93919-11-0
6-hydroxy-2,7-dimethyl-4-octanone

: 68419-46-5
2,7-dimethyl-oct-5-en-4-one

Guidance literature:: With trifluoroacetic acid; In dichloromethane; Yield given; Heating;
DOI:10.1021/jo00115a002

Reference yield:

: 108-10-1
4-methyl-2-pentanone

: 68419-46-5
2,7-dimethyl-oct-5-en-4-one

Guidance literature:: Multi-step reaction with 2 steps

1: 1.) LDA / 1.) THF, -78 deg C, 20 min, 2.) THF, from -78 deg C to 25 deg C

2: CF₃COOH / CH₂Cl₂ / Heating

With trifluoroacetic acid; lithium diisopropyl amide; In dichloromethane;
DOI:10.1021/jm970689r