7-Methyl-2,4-octanedione

Base Information

Chemical Name:7-Methyl-2,4-octanedione
CAS No.:999-05-3
Molecular Formula:C₉H₁₆O₂
Molecular Weight:156.225
Hs Code.:2914190090
DSSTox Substance ID:DTXSID00554957
Wikidata:Q82436155
Mol file:999-05-3.mol

Synonyms:7-METHYL-2,4-OCTANEDIONE;999-05-3;7-METHYLOCTANE-2,4-DIONE;3-Isobutylacetylaceton;SCHEMBL11051339;DTXSID00554957;WXXUVDCIAUPLNP-UHFFFAOYSA-N

Suppliers and Price of 7-Methyl-2,4-octanedione

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 8 raw suppliers

Chemical Property of 7-Methyl-2,4-octanedione

Chemical Property:

PSA：34.14000
LogP:1.97080
XLogP3:1.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:5
Exact Mass:156.115029749
Heavy Atom Count:11
Complexity:148

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)CCC(=O)CC(=O)C

Technology Process of 7-Methyl-2,4-octanedione

There total 2 articles about 7-Methyl-2,4-octanedione 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: 71.0%

: 79-20-9
acetic acid methyl ester

: 110-12-3
5-Methyl-2-hexanone

: 999-05-3
7-methyl-2,4-octanedione

Guidance literature:: acetic acid methyl ester; With sodium hydride; In diethyl ether; mineral oil; Reflux;

5-Methyl-2-hexanone; In diethyl ether; mineral oil; for 8h;

Reference yield:

: 7-methyl-octane-2,4-dione 2-enol tautomer

: 999-05-3
7-methyl-2,4-octanedione

Guidance literature:: at 24 ℃; Equilibrium constant;
DOI:10.1246/bcsj.46.632

Reference yield:

: 999-05-3
7-methyl-2,4-octanedione

: (20R,22E)-2-methylene-25-(4-methylpentanoyl)-24-oxo-26,27-cyclo-22-dehydro-1-hydroxy-19-norvitamin D₃

Guidance literature:: Multi-step reaction with 5 steps

1.1: potassium carbonate; tetrabutylammomium bromide / acetonitrile / 96 h

2.1: triethylamine; triethylsilyl trifluoromethyl sulfonate / dichloromethane / 0.5 h / 0 °C

3.1: toluene / Reflux

4.1: lithium hexamethyldisilazane / tetrahydrofuran / 1 h

4.2: 48 h

5.1: ethanol; (1S)-10-camphorsulfonic acid / 30 h

With ethanol; (1S)-10-camphorsulfonic acid; tetrabutylammomium bromide; triethylsilyl trifluoromethyl sulfonate; potassium carbonate; triethylamine; lithium hexamethyldisilazane; In tetrahydrofuran; dichloromethane; toluene; acetonitrile; 3.1: Arbuzov Reaction / 4.1: Wittig-Horner olefination;