Oxycarboxin

Base Information

• Chemical Name: Oxycarboxin
• CAS No.: 5259-88-1
• Molecular Formula: C12H13 N O4 S
• Molecular Weight: 267.306
• Hs Code.: 2934999038
• European Community (EC) Number: 226-066-2
• NSC Number: 232673
• UNII: NPU5GBN17X
• DSSTox Substance ID: DTXSID8034792
• Nikkaji Number: J3.071F
• Wikipedia: Oxycarboxin
• Wikidata: Q15965116
• Metabolomics Workbench ID: 67674
• ChEMBL ID: CHEMBL1712057
• Mol file: 5259-88-1.mol

Synonyms:5,6-dihydro-2-methyl-1,4-oxathiin-3-carboxanilide 4,4-dioxide;oxycarboxin;Plantvax

Chemical Property of Oxycarboxin

Chemical Property:

• Vapor Pressure: 3.2E-11mmHg at 25°C
• Melting Point: 128-130℃ (ethanol )
• Refractive Index: 1.6280 (estimate)
• Boiling Point: 527.6°Cat760mmHg
• PKA: 11.26±0.70(Predicted)
• Flash Point: 272.9°C
• PSA: 80.85000
• Density: 1.392g/cm³
• LogP: 2.45540
• Storage Temp.: 0-6°C
• Water Solubility.: 1g/L(25 oC)
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 267.05652907
• Heavy Atom Count: 18
• Complexity: 455

Purity/Quality:

99% ^*data from raw suppliers

Oxycarboxine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-52/53
• Safety Statements: 61

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Pesticides -> Fungicides
• Canonical SMILES: CC1=C(S(=O)(=O)CCO1)C(=O)NC2=CC=CC=C2

Technology Process of Oxycarboxin

There total 1 articles about Oxycarboxin 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:

→ oxycarboxine (5259-88-1)

Guidance literature:

Reference yield: 94.6%

oxycarboxine (5259-88-1) + diethylamine (109-89-7) → 2-Diethylaminoethansulfonyl-acetanilid (108046-40-8)

Guidance literature:

In ethanol; for 3h; Heating;

Reference yield: 83.5%

oxycarboxine (5259-88-1) → 2-Hydroxyethansulfonyl-acetanilid (77698-03-4)

Guidance literature:

With potassium hydroxide; In ethanol; for 3h; Heating;

Downstream raw materials:

2-Di-i-butylaminoethansulfonyl-acetanilid

Tris-(ethansulfonyl-acetanilido)-nitromethan

2-(n-Octylthio)-ethansulfonyl-acetanilid

2-Phthalimidoethansulfonyl-acetanilid

Refernces