5-[(3E,6E,9E,12E,15E)-1-iodooctadeca-3,6,9,12,15-pentaenyl]oxolan-2-one

Base Information

Chemical Name:5-[(3E,6E,9E,12E,15E)-1-iodooctadeca-3,6,9,12,15-pentaenyl]oxolan-2-one
CAS No.:78144-19-1
Molecular Formula:C22H31 I O2
Molecular Weight:454.391
Hs Code.:
Mol file:78144-19-1.mol

Synonyms:5-IHDPL;5-iodo-4-hydroxy-7,10,13,16,19-docosapentaenoic acid gamma-lactone

Suppliers and Price of 5-[(3E,6E,9E,12E,15E)-1-iodooctadeca-3,6,9,12,15-pentaenyl]oxolan-2-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 3 raw suppliers

Chemical Property of 5-[(3E,6E,9E,12E,15E)-1-iodooctadeca-3,6,9,12,15-pentaenyl]oxolan-2-one

Chemical Property:

Vapor Pressure:9.57E-11mmHg at 25°C
Boiling Point:515.8°C at 760 mmHg
Flash Point:265.7°C
PSA：26.30000
Density:1.252g/cm³
LogP:6.63710
XLogP3:6.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:12
Exact Mass:454.13688
Heavy Atom Count:25
Complexity:500

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCC=CCC=CCC=CCC=CCC=CCC(C1CCC(=O)O1)I
Isomeric SMILES:CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CC(C1CCC(=O)O1)I

Technology Process of 5-[(3E,6E,9E,12E,15E)-1-iodooctadeca-3,6,9,12,15-pentaenyl]oxolan-2-one

There total 4 articles about 5-[(3E,6E,9E,12E,15E)-1-iodooctadeca-3,6,9,12,15-pentaenyl]oxolan-2-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: 97.0%

: 6217-54-5
docosahexaenoic acid

: 78144-19-1
5-[(3Z,6Z,9Z,12Z,15Z)-1-iodooctadeca-3,6,9,12,15-pentaenyl]dihydro-2(3H)-furanone

Guidance literature:: With hydrogen iodide; iodine; potassium hydrogencarbonate; In ethanol; at 0 - 4 ℃; for 18h; Inert atmosphere; Darkness;
DOI:10.3390/molecules19033804

Reference yield:

fish oil fatty acids; mixture of: fish oil fatty acids; mixture of

: 78144-19-1
5-[(3Z,6Z,9Z,12Z,15Z)-1-iodooctadeca-3,6,9,12,15-pentaenyl]dihydro-2(3H)-furanone

: 234087-56-0
6-[(3Z,6Z,9Z,12Z)-1-iodopentadeca-3,6,9,12-tetraen-1-yl]-tetrahydro-2H-pyran-2-one

Guidance literature:: fish oil fatty acids; mixture of; With potassium hydrogencarbonate; In ethanol; water;

With iodine; In ethanol; hexane; water; at 24 ℃; for 16h;

Reference yield:

: 81926-94-5,84494-72-4
all-(Z)-ethyl 4,7,10,13,16,19-docosahexaenoate

: 78144-19-1
5-[(3Z,6Z,9Z,12Z,15Z)-1-iodooctadeca-3,6,9,12,15-pentaenyl]dihydro-2(3H)-furanone

Guidance literature:: Multi-step reaction with 2 steps

1: lithium hydroxide / ethanol; H₂O / Ambient temperature

2: 95 percent / I₂, KI, KHCO₃ / tetrahydrofuran; H₂O / 48 h / Ambient temperature

With lithium hydroxide; iodine; potassium hydrogencarbonate; potassium iodide; In tetrahydrofuran; ethanol; water;
DOI:10.3891/acta.chem.scand.53-0436