10-Nitrolinoleic acid

Base Information

Chemical Name:10-Nitrolinoleic acid
CAS No.:774603-04-2
Molecular Formula:C₁₈H₃₁NO₄
Molecular Weight:325.448
Hs Code.:
DSSTox Substance ID:DTXSID201261386
Metabolomics Workbench ID:1883
Nikkaji Number:J2.344.973K
Wikidata:Q27115831
Mol file:774603-04-2.mol

Synonyms:10-nitro-9,12-octadecadienoic acid;9-nitrolinoleic acid;nitrolinoleic acid

Suppliers and Price of 10-Nitrolinoleic acid

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

Cayman Chemical
10-Nitrolinoleate ≥95%
1mg
$ 304.00

Cayman Chemical
10-Nitrolinoleate ≥95%
500μg
$ 171.00

Cayman Chemical
10-Nitrolinoleate ≥95%
100μg
$ 38.00

Total 3 raw suppliers

Chemical Property of 10-Nitrolinoleic acid

Chemical Property:

Vapor Pressure:1.94E-09mmHg at 25°C
Refractive Index:1.492
Boiling Point:452.2°C at 760 mmHg
PKA:4.77±0.10(Predicted)
Flash Point:174°C
PSA：83.12000
Density:1.016g/cm³
LogP:6.01210
XLogP3:6.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:14
Exact Mass:325.22530847
Heavy Atom Count:23
Complexity:383

Purity/Quality:

≥95% ^*data from raw suppliers

10-Nitrolinoleate ≥95% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCCC=CCC(=CCCCCCCCC(=O)O)[N+](=O)[O-]
Isomeric SMILES:CCCCC/C=C\C/C(=C\CCCCCCCC(=O)O)/[N+](=O)[O-]
Description 10-Nitrolinoleate is a nitrated fatty acid and a peroxisome proliferator-activated receptor γ (PPARγ) agonist. It is formed from linoleic acid (Item Nos. 90150 | 90150.1 | 21909) upon exposure to acidified nitrite.

Technology Process of 10-Nitrolinoleic acid

There total 3 articles about 10-Nitrolinoleic acid 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: 82.0%

: 1051325-65-5
allyl (9E,12Z)-10-nitrooctadeca-9,12-dienoate

: 774603-04-2
(9E,12Z)-10-nitrooctadeca-9,12-dienoic acid

Guidance literature:: With formic acid; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In tetrahydrofuran; at 80 ℃; for 24h;
DOI:10.1021/jo801364v

Reference yield: 73.0%

: 774603-02-0
(9E,12Z)-methyl 10-nitrooctadeca-9,12-dienoate

: 774603-04-2
(9E,12Z)-10-nitrooctadeca-9,12-dienoic acid

Guidance literature:: With lipozyme TL; In acetone; at 20 ℃; for 24h; pH=7.4; aq. phosphate buffer; Enzymatic reaction;
DOI:10.1021/jo1007493

Reference yield: 12.0%

: 60-33-3,116745-32-5,26085-09-6,64080-88-2,7049-66-3,949900-18-9,60476-23-5,6144-28-1,67922-65-0,89718-18-3
linoleic acid

: 903503-65-1
(9E,12Z)-9-nitrooctadeca-9,12-dienoic acid

: 774603-04-2
(9E,12Z)-10-nitrooctadeca-9,12-dienoic acid

Guidance literature:: linoleic acid; With Phenylselenyl bromide; In tetrahydrofuran; at -78 ℃; for 0.166667h;

With silver(I) nitrite; mercury dichloride; In tetrahydrofuran; acetonitrile; at -78 - 20 ℃; for 3.5h;

With dihydrogen peroxide; In chloroform; at 4 - 20 ℃; for 1h; Further stages.;
DOI:10.1021/jo801364v