Tuberonic acid

Base Information

Chemical Name:Tuberonic acid
CAS No.:124649-26-9
Molecular Formula:C₁₂H₁₈O₄
Molecular Weight:226.273
Hs Code.:
DSSTox Substance ID:DTXSID101316194
Nikkaji Number:J412.524J
Metabolomics Workbench ID:2346
Mol file:124649-26-9.mol

Synonyms:tuberonic acid

Suppliers and Price of Tuberonic 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

TRC
(+)-TuberonicAcid
25mg
$ 27225.00

Medical Isotopes, Inc.
(+)-TuberonicAcid
10 mg
$ 23750.00

Total 4 raw suppliers

Chemical Property of Tuberonic acid

Chemical Property:

Vapor Pressure:3.52E-09mmHg at 25°C
Boiling Point:429.5°C at 760 mmHg
Flash Point:227.7°C
PSA：74.60000
Density:1.156g/cm³
LogP:1.38510
XLogP3:0.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:226.12050905
Heavy Atom Count:16
Complexity:283

Purity/Quality:

97% ^*data from raw suppliers

(+)-TuberonicAcid ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CC(=O)C(C1CC(=O)O)CC=CCCO
Isomeric SMILES:C1CC(=O)[C@H]([C@H]1CC(=O)O)C/C=C\CCO
Uses (+)-Tuberonic Acid has shown to have tuber-inducting properties. (+)-Tuberonic Acid is an analogue of Jasmonic Acid (J210520), a major constituent of essential oil of Jasmine. Used by the fragrance industry

Technology Process of Tuberonic acid

There total 15 articles about Tuberonic 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: 89.0%

: 81761-06-0,92934-65-1
methyl (1S*,2S*)-2-[(2Z)-5-hydroxy-2-pentenyl]-3-oxocyclopentaneacetate

: 68931-48-6,92843-45-3,124649-26-9,135911-63-6,140631-27-2
2-(5-hydroxy-2(Z)-pentenyl)-3-carboxymethylcyclopentanone

Guidance literature:: With potassium hydroxide; for 5h; Heating;

Reference yield:

: 932391-42-9
2-((1R,2S)-3-oxo-2-((Z)-5-(tetrahydro-2H-pyran-2-yloxy)-pent-2-enyl)cyclopentyl)ethanoic acid

: 124649-26-9
12-hydroxy-epi-jasmonic acid

: 140631-27-2
[(1R,2R,2'Z)-2-(5'-hydroxypent-2'-enyl)-3-oxocyclopentane]acetic acid

Guidance literature:: With magnesium bromide; In diethyl ether; at 20 ℃; for 2h; Title compound not separated from byproducts.;
DOI:10.1016/j.tetlet.2007.01.035

Reference yield:

: 68931-47-5
[(1S,2S)-2-(5-Hydroxy-pent-2-ynyl)-3-oxo-cyclopentyl]-thioacetic acid S-tert-butyl ester

: 68931-48-6,92843-45-3,124649-26-9,135911-63-6,140631-27-2
2-(5-hydroxy-2(Z)-pentenyl)-3-carboxymethylcyclopentanone

Guidance literature:: Multi-step reaction with 2 steps

1: Lindlar catalyst / benzene; cyclohexane

2: Hg(NO₃)2, HNO₃ / dioxane / Heating

With nitric acid; mercury(II) nitrate; Lindlar's catalyst; In 1,4-dioxane; cyclohexane; benzene;
DOI:10.1002/hlca.19780610721