Deepoxy-deoxynivalenol

Base Information

• Chemical Name: Deepoxy-deoxynivalenol
• CAS No.: 88054-24-4
• Molecular Formula: C₁₅H₂₀O₅
• Molecular Weight: 280.321
• European Community (EC) Number: 621-832-6
• DSSTox Substance ID: DTXSID601007920
• Nikkaji Number: J1.963.777H
• Wikidata: Q76010106
• Mol file: 88054-24-4.mol

Synonyms:de-epoxy-deoxynivalenol;deepoxy-deoxynivalenol;DOM-1

Chemical Property of Deepoxy-deoxynivalenol

Chemical Property:

• Vapor Pressure: 2.26E-11mmHg at 25°C
• Boiling Point: 483.3°C at 760 mmHg
• Flash Point: 2 °C
• PSA: 86.99000
• Density: 1.35g/cm³
• LogP: -0.05050
• Storage Temp.: −20°C
• XLogP3: 0
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 280.13107373
• Heavy Atom Count: 20
• Complexity: 524

Purity/Quality:

98%Min ^*data from raw suppliers

Deepoxydeoxynivalenol ^*data from reagent suppliers

Safty Information:

• Hazard Codes: F,Xn
• Statements: 11-20/21/22-36
• Safety Statements: 16-36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC2C(C(C1=O)O)(C3(CC(C(C3=C)O2)O)C)CO
• Isomeric SMILES: CC1=C[C@@H]2[C@]([C@@H](C1=O)O)([C@]3(C[C@H]([C@H](C3=C)O2)O)C)CO

Technology Process of Deepoxy-deoxynivalenol

There total 4 articles about Deepoxy-deoxynivalenol 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:

vomitoxin hydrate (51481-10-8,50722-37-7,115825-61-1) → de-epoxy-deoxynivalenol (88054-24-4)

Guidance literature:

rumen microorganisms;

Reference yield:

Deoxynivalenol triacetate (51550-28-8) → de-epoxy-deoxynivalenol (88054-24-4)

Guidance literature:

Multi-step reaction with 3 steps

1: 88 mg / 48percent hydrobromic acid, acetic acid / 4 h / Heating

2: 21 mg / Zn powder / acetic acid / 0.08 h / Heating

3: 9.8 mg / 0.1 M sodium ethoxide / ethanol / 0.25 h / Ambient temperature

With hydrogen bromide; sodium ethanolate; acetic acid; zinc; In ethanol; acetic acid;

Reference yield:

8-oxatrichotheca-9,12-diene-3α,7α,15-triyl triacetate (97186-99-7) → de-epoxy-deoxynivalenol (88054-24-4)

Guidance literature:

With sodium ethanolate; In ethanol; for 0.25h; Ambient temperature;

upstream raw materials:

vomitoxin hydrate

8-oxatrichotheca-9,12-diene-3α,7α,15-triyl triacetate

Deoxynivalenol triacetate

3α,7α,15-triacetoxy-13-bromo-12-hydroxytrichothec-7-en-8-one