2,4-Nonanedione

Base Information

• Chemical Name: 2,4-Nonanedione
• CAS No.: 6175-23-1
• Molecular Formula: C9H16 O2
• Molecular Weight: 156.225
• Hs Code.: 2914190090
• European Community (EC) Number: 228-219-9
• NSC Number: 71552
• UNII: 3I1VDR4QHW
• DSSTox Substance ID: DTXSID50210753
• Nikkaji Number: J211.439I
• Wikidata: Q83085520
• Metabolomics Workbench ID: 44790
• Mol file: 6175-23-1.mol

Synonyms:2,4-Nonanedione;Nonane-2,4-dione;6175-23-1;3I1VDR4QHW;EINECS 228-219-9;NSC-71552;AI3-12187;NSC-20699;caproylacetone;2,4-nonadione;NSC71552;UNII-3I1VDR4QHW;NCIOpen2_000340;SCHEMBL93486;DTXSID50210753;CHEBI:171751;MFCD00015276;NSC 71552;AKOS005060864;FT-0610234;A833404

Chemical Property of 2,4-Nonanedione

Chemical Property:

• Melting Point: -18°C
• Refractive Index: 1.4608
• Boiling Point: 100-103°C 19mm
• PKA: 9.28±0.10(Predicted)
• Flash Point: 100-103°C/19mm
• PSA: 34.14000
• Density: 1.26g/cm³
• LogP: 2.11490
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 156.115029749
• Heavy Atom Count: 11
• Complexity: 139

Purity/Quality:

97% ^*data from raw suppliers

Nonane-2,4-dione 97% ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCC(=O)CC(=O)C

Technology Process of 2,4-Nonanedione

There total 18 articles about 2,4-Nonanedione 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: 91.0%

3-(Dimethyl-λ4-sulfanylidene)-nonane-2,4-dione → 2,4-nonanedione (6175-23-1)

Guidance literature:

With acetic acid; zinc; In 1,4-dioxane; for 12h; Ambient temperature;

DOI:10.1055/s-1988-27506

Reference yield: 69.0%

4-hydroxy-2-nonanone (1038622-41-1) → 2,4-nonanedione (6175-23-1)

Guidance literature:

With oxalyl dichloride; dimethyl sulfoxide; at -60 ℃; for 15h; Product distribution; further oxidizing agents;

Reference yield: 64.0%

n-pentyl methyl ketone (110-43-0) + acetic acid methyl ester (79-20-9) → 2,4-nonanedione (6175-23-1)

Guidance literature:

acetic acid methyl ester; With sodium hydride; In diethyl ether; mineral oil; boiling;

n-pentyl methyl ketone; In diethyl ether; mineral oil; for 8h; Reflux;

With hydrogenchloride; In diethyl ether; water; mineral oil;

upstream raw materials:

2-acetoxy-2-heptene

acetylacetone

hexanoic acid

1-bromo-butane

Downstream raw materials:

nonane-2,4-diol

n-pentyl methyl ketone

acetic acid

(22E)-2-methylene-24-oxo-25-hexanoyl-26,27-cyclo-22-dehydro-hydroxy-19-norvitamin D₃