cis-Parinaric acid

Base Information

Chemical Name:cis-Parinaric acid
CAS No.:593-38-4
Molecular Formula:C₁₈H₂₈O₂
Molecular Weight:276.419
Hs Code.:
UNII:KM4KXM284R
DSSTox Substance ID:DTXSID501027236
Wikipedia:Alpha-Parinaric_acid
Wikidata:Q2823297
Metabolomics Workbench ID:1104
ChEMBL ID:CHEMBL3785424
Mol file:593-38-4.mol

Synonyms:cis-parinaric acid;octadecatetraenoic acid;paranaric acid;parinaric acid;parinaric acid, (all-E)-isomer;parinaric acid, (Z,Z,E,E)-isomer

Suppliers and Price of cis-Parinaric 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

Total 5 raw suppliers

Chemical Property of cis-Parinaric acid

Chemical Property:

Melting Point:80 °C
Boiling Point:400.2±14.0 °C(Predicted)
PKA:4.78±0.10(Predicted)
PSA：37.30000
Density:0.937±0.06 g/cm3(Predicted)
LogP:5.43650
XLogP3:5.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:12
Exact Mass:276.208930132
Heavy Atom Count:20
Complexity:335

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCC=CC=CC=CC=CCCCCCCCC(=O)O
Isomeric SMILES:CC/C=C\C=C\C=C\C=C/CCCCCCCC(=O)O

Technology Process of cis-Parinaric acid

There total 23 articles about cis-Parinaric 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: 75.0%

: 96823-14-2
(9E,13E,15E)-12-(Pyrrolidine-1-carbothioylsulfanyl)-octadeca-9,13,15-trienoic acid

: 593-38-4,18427-44-6,90581-93-4,18841-21-9
β-parinaric acid

Guidance literature:: With lithium carbonate; lithium fluoride; methyl iodide; In N,N-dimethyl-formamide; for 24h; Ambient temperature;
DOI:10.1246/cl.1985.413

Reference yield:

: 1005452-45-8
C₈H₁₃BO₂

: 10-iodo-9-decenoic acid

: 593-38-4,18427-44-6,90581-93-4,18841-21-9
β-parinaric acid

: (9Z,11E,13E,15E)-octadecatetraenoic acid

Guidance literature:: With sodium hydroxide; palladium diacetate; In tetrahydrofuran; at 23 ℃; for 0.666667h; Title compound not separated from byproducts.;
DOI:10.1021/ja078129x

Reference yield:

: CH₃CH₂CHCHCHCHCHCHB(N-methyliminodiacetate)

: 1005452-38-9
(E)-10-iodo-9-decenoic acid

: 593-38-4,18427-44-6,90581-93-4,18841-21-9
β-parinaric acid

Guidance literature:: CH₃CH₂CHCHCHCHCHCHB(N-methyliminodiacetate); With acetic acid; In tetrahydrofuran; for 0.25h; Inert atmosphere;

(E)-10-iodo-9-decenoic acid; With potassium hydroxide; dicyclohexyl-(2',6'-dimethoxybiphenyl-2-yl)-phosphane; palladium diacetate; In tetrahydrofuran;