Alternariol monomethyl ether

Base Information

• Chemical Name: Alternariol monomethyl ether
• CAS No.: 23452-05-3
• Molecular Formula: C15H12 O5
• Molecular Weight: 272.257
• Hs Code.: 29322090
• European Community (EC) Number: 636-657-0,694-486-7
• NSC Number: 638262
• UNII: Y79STA800H
• DSSTox Substance ID: DTXSID30178004
• Nikkaji Number: J597.088A
• Wikidata: Q27294342
• Metabolomics Workbench ID: 118914
• ChEMBL ID: CHEMBL483526
• Mol file: 23452-05-3.mol

Synonyms:alternariol monomethyl ether;alternariol-9-methyl ether

Chemical Property of Alternariol monomethyl ether

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 277-279 °C
• Refractive Index: 1.6000 (estimate)
• Boiling Point: 559.2°Cat760mmHg
• PKA: 7.00±0.20(Predicted)
• Flash Point: 217.4°C
• PSA: 79.90000
• Density: 1.427g/cm³
• LogP: 2.67440
• Storage Temp.: ?20°C
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 272.06847348
• Heavy Atom Count: 20
• Complexity: 385

Purity/Quality:

99% ^*data from raw suppliers

Alternariol9-MonomethylEther ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-43
• Safety Statements: 36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=CC2=C1C3=C(C(=CC(=C3)OC)O)C(=O)O2)O
• Uses: Alternariol Monomethyl Ether is a mycotoxins found in subsistence farmed maize. Also, it is a natural mycotoxin isolated from the fermentation broth of Trichoderma sp. Jing-8 with phytotoxic, antibacterial and antioxidant activities. Also, it is derived from 3,5-Dimethoxyiodobenzene (D460640), which is an intermediate for the synthesis of glucuronide conjugates of trans-Resveratrol.

Technology Process of Alternariol monomethyl ether

There total 1 articles about Alternariol monomethyl ether 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:

alternariol (641-38-3) + S-adenosyl-L-methionine (485-80-3,15519-60-5,60018-85-1,60018-86-2,79845-28-6) → alternariol-9-methyl ether (23452-05-3) + S-(5'-adenosyl)-L-homocysteine (979-92-0)

Guidance literature:

With alternariol-O-methyltransferase (AOH-MT) from Alternaria tenuis; In ethanol; water; at 30 ℃; for 4h; enzyme activity (K_m and V_max values) at pH=8;

Reference yield:

alternariol-9-methyl ether (23452-05-3) → 3,5-dimethoxyphthalic acid (13133-05-6)

Guidance literature:

Multi-step reaction with 2 steps

1: acetone; potassium carbonate

2: KMnO₄; aqueous NaOH

With sodium hydroxide; potassium permanganate; potassium carbonate; acetone;

Reference yield:

alternariol-9-methyl ether (23452-05-3) → alternariol (641-38-3)

Guidance literature:

With hydrogen iodide;

upstream raw materials:

alternariol

S-adenosyl-L-methionine

Downstream raw materials:

alternariol

3,5-dimethoxyphthalic acid

(2-carboxy-3,5-dimethoxy-phenyl)-glyoxylic acid

Refernces