Endothall

Base Information

• Chemical Name: Endothall
• CAS No.: 145-73-3
• Deprecated CAS: 857020-72-5
• Molecular Formula: C8H10 O5
• Molecular Weight: 186.164
• Hs Code.: 2932190013
• European Community (EC) Number: 205-660-5
• NSC Number: 237771,112771
• UN Number: 2811,3077
• DSSTox Substance ID: DTXSID7024081
• Nikkaji Number: J5.834C
• Wikipedia: Endothall
• Wikidata: Q3054030
• ChEMBL ID: CHEMBL8080
• Mol file: 145-73-3.mol

Synonyms:endothall;endothall dipotassium salt;endothall disodium salt;endothall disodium salt, (endo,endo)-isomer;endothall, diammonium salt

Chemical Property of Endothall

Chemical Property:

• Vapor Pressure: 2.88E-09mmHg at 25°C
• Melting Point: 144℃
• Refractive Index: 1.568
• Boiling Point: 350℃(e)
• PKA: 3.62±0.40(Predicted)
• Flash Point: 190.5°C
• PSA: 83.83000
• Density: 1.431
• LogP: -0.05080
• Storage Temp.: +2C to +8C
• Water Solubility.: Soluble in water (>25 mg/ml), methanol, acetone, and DMSO. Insoluble in benzene.
• XLogP3: -0.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 186.05282342
• Heavy Atom Count: 13
• Complexity: 235
• Transport DOT Label: Poison

Purity/Quality:

99.5% ^*data from raw suppliers

Endothall ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Strong irritant to eyes and skin.
• Hazard Codes: T
• Statements: 21-25-36/37/38
• Safety Statements: 36/37/39-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Pesticides -> Herbicides, Other
• Canonical SMILES: C1CC2C(C(C1O2)C(=O)O)C(=O)O
• Uses: Defoliant, herbicide. Preemergence and postemergence herbicide for control of broad-leaved weeds and annual grass in vegetable crops. The disodium and dipotassium salts are used as defoliants and herbicides. Endothall is used as an inhibitor of PP2A phosphatase activity. It is also used as a defoliant. It is used as a cell adhesion inhibitor.

Technology Process of Endothall

There total 11 articles about Endothall 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:

furan (110-00-9) + maleic anhydride (108-31-6) → endothal (145-73-3)

Guidance literature:

furan; maleic anhydride;

With palladium on activated charcoal; hydrogen;

DOI:10.1016/j.ica.2017.03.033

Reference yield:

→ endothal (145-73-3)

Guidance literature:

Monomer II, 1. Hydrierung ;

DOI:10.1139/v67-360

Reference yield:

(1S,3S,4R)-7-Oxa-bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid (5629-08-3,28871-62-7,51112-81-3,51372-65-7) → (+)-7-Oxanorbornan-trans-2,3-dicarbonsaeure (145-73-3,13136-04-4,28871-63-8,28874-46-6,97949-69-4,97949-70-7)

Guidance literature:

With hydrogen; palladium; at 25 ℃; Yield given;

upstream raw materials:

furan

maleic anhydride

cis-endo-2,3-(biscarbomethoxy)-7-oxabicyclo<2.2.1>heptane

dimethyl 7-oxabicyclo<2.2.1>heptane-2β,3β-dicarboxylate

Downstream raw materials:

(2-endo,3-exo)-7-oxabicyclo<2.2.1>heptane-2,3-dimethanol

hexahydro-4,7-epioxido-isoindole-1,3-dione

(2-endo,3-exo)-7-oxabicyclo<2.2.1>heptane-2,3-dimethanol bis(4-methylbenzenesulfonate)

Refernces

• 1、 Xu, Gang,Lin, Jing,Li, Wanchun,Zhao, Jian,Gou, Shaohua. "Design, synthesis and biological evaluation of demethylcantharidate-linked platinum(II) complexes of N-monoalkyl-1R,2R-diaminocyclohexane derivatives". . p. 188 - 194. Retrieved 2017.
• 2、 -. "Substituted pyridinesulfonamide compound or its salt, process for preparing the same, and herbicide containing the same". . . Retrieved 2008/06/13.