Leptospermone

Base Information

Chemical Name:Leptospermone
CAS No.:567-75-9
Molecular Formula:C15H22O4
Molecular Weight:266.337
Hs Code.:
UNII:2F8XBE046L
DSSTox Substance ID:DTXSID80205258
Nikkaji Number:J11.529K
Wikipedia:Leptospermone
Wikidata:Q6528372
ChEMBL ID:CHEMBL4090482
Mol file:567-75-9.mol

Synonyms:2,2,4,4-tetramethyl-6-(3-methylbutanoyl)-1,3,5-cyclohexanetrione;leptospermone

Suppliers and Price of Leptospermone

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 32 raw suppliers

Chemical Property of Leptospermone

Chemical Property:

Vapor Pressure:8.59E-07mmHg at 25°C
Boiling Point:405.7°Cat760mmHg
PKA:5.02±0.60(Predicted)
Flash Point:171.6°C
PSA：68.28000
Density:1.048g/cm³
LogP:1.99110
XLogP3:2.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:266.15180918
Heavy Atom Count:19
Complexity:425

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)C1C(=O)C(C(=O)C(C1=O)(C)C)(C)C

Technology Process of Leptospermone

There total 6 articles about Leptospermone 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: 86.0%

: 26103-97-9
phloroisovalerophenone

: 74-88-4
methyl iodide

: 567-75-9
4-(3-methylbutanoyl)-5-hydroxy-2,2,6,6-tetramethylcyclohex-4-ene-1,3-dione

Guidance literature:: phloroisovalerophenone; With sodium methylate; In methanol; at 20 ℃; for 0.166667h;

methyl iodide; In methanol; at 55 ℃; for 2h;

Reference yield: 60.0%

: 26103-97-9
phloroisovalerophenone

: 567-75-9
4-(3-methylbutanoyl)-5-hydroxy-2,2,6,6-tetramethylcyclohex-4-ene-1,3-dione

Guidance literature:: With potassium hydroxide; In water; at 20 ℃; for 0.5h;
DOI:10.1039/c5ob00554j

Reference yield:

: 108-12-3
isopentanoyl chloride

: 567-75-9
4-(3-methylbutanoyl)-5-hydroxy-2,2,6,6-tetramethylcyclohex-4-ene-1,3-dione

Guidance literature:: Multi-step reaction with 2 steps

1.1: aluminum (III) chloride; carbon disulfide / 0.33 h / 20 °C / Inert atmosphere

1.2: 0.5 h / 50 °C / Inert atmosphere

2.1: potassium hydroxide / water / 0.5 h / 20 °C

With carbon disulfide; aluminum (III) chloride; potassium hydroxide; In water; 1.1: |Friedel-Crafts Acylation;
DOI:10.1039/c5ob00554j