Acoragermacrone

Base Information

Chemical Name:Acoragermacrone
CAS No.:50281-45-3
Molecular Formula:C15H24O
Molecular Weight:220.35
Hs Code.:2914299000
UNII:VTN7095NH0
DSSTox Substance ID:DTXSID101163585
Metabolomics Workbench ID:47607
Wikidata:Q27292014
Mol file:50281-45-3.mol

Synonyms:Acoragermacrone;UNII-VTN7095NH0;VTN7095NH0;50281-45-3;2,6-Cyclodecadien-1-one, 3,7-dimethyl-10-(1-methylethyl)-, (S-(E,E))-;CHEBI:195990;DTXSID101163585;Q27292014;(2E,6E,10S)-3,7-Dimethyl-10-(1-methylethyl)-2,6-cyclodecadien-1-one;(2E,6E,10S)-3,7-dimethyl-10-propan-2-ylcyclodeca-2,6-dien-1-one;2,6-CYCLODECADIEN-1-ONE, 3,7-DIMETHYL-10-(1-METHYLETHYL)-, (2E,6E,10S)-

Suppliers and Price of Acoragermacrone

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 5 raw suppliers

Chemical Property of Acoragermacrone

Chemical Property:

Vapor Pressure:0.000292mmHg at 25°C
Boiling Point:321.7°C at 760 mmHg
Flash Point:146.4°C
PSA：17.07000
Density:0.886g/cm³
LogP:4.29430
XLogP3:3.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:220.182715385
Heavy Atom Count:16
Complexity:307

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CCCC(=CC(=O)C(CC1)C(C)C)C
Isomeric SMILES:C/C/1=C\CC/C(=C/C(=O)[C@@H](CC1)C(C)C)/C

Technology Process of Acoragermacrone

There total 9 articles about Acoragermacrone 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: 90.0%

: 64395-16-0
(1E,4E)-7αH-germacra-1(10),4-diene-6β-ol

: 50281-45-3
acoragermacrone

Guidance literature:: With 1-hydroxy-3H-benz[d][1,2]iodoxole-1,3-dione; In dimethyl sulfoxide; at 20 ℃; for 2h; Inert atmosphere;
DOI:10.1002/anie.201206904

Reference yield:

: C₁₅H₂₆O₂

: 50281-45-3
acoragermacrone

Guidance literature:: Multi-step reaction with 4 steps

1: dicyclohexyl-carbodiimide; dmap / dichloromethane / 1 h / 20 °C / Inert atmosphere

2: tungsten(VI) chloride; n-butyllithium / tetrahydrofuran; hexane / -60 - 20 °C / Inert atmosphere

3: potassium carbonate; methanol / 2 h / 50 °C / Inert atmosphere

4: 1-hydroxy-3H-benz[d][1,2]iodoxole-1,3-dione / dimethyl sulfoxide / 2 h / 20 °C / Inert atmosphere

With methanol; dmap; n-butyllithium; tungsten(VI) chloride; potassium carbonate; dicyclohexyl-carbodiimide; 1-hydroxy-3H-benz[d][1,2]iodoxole-1,3-dione; In tetrahydrofuran; hexane; dichloromethane; dimethyl sulfoxide;
DOI:10.1002/anie.201206904

Reference yield:

: shiromool acetate

: 50281-45-3
acoragermacrone

Guidance literature:: Multi-step reaction with 3 steps

1: tungsten(VI) chloride; n-butyllithium / tetrahydrofuran; hexane / -60 - 20 °C / Inert atmosphere

2: potassium carbonate; methanol / 2 h / 50 °C / Inert atmosphere

3: 1-hydroxy-3H-benz[d][1,2]iodoxole-1,3-dione / dimethyl sulfoxide / 2 h / 20 °C / Inert atmosphere

With methanol; n-butyllithium; tungsten(VI) chloride; potassium carbonate; 1-hydroxy-3H-benz[d][1,2]iodoxole-1,3-dione; In tetrahydrofuran; hexane; dimethyl sulfoxide;
DOI:10.1002/anie.201206904