Isoxaben

Base Information

• Chemical Name: Isoxaben
• CAS No.: 82558-50-7
• Molecular Formula: C18H24 N2 O4
• Molecular Weight: 332.4
• European Community (EC) Number: 407-190-8,617-354-2
• UNII: 101V41EEA4
• DSSTox Substance ID: DTXSID8024159
• Nikkaji Number: J20.623G
• Wikipedia: Isoxaben
• Wikidata: Q2677285
• Metabolomics Workbench ID: 63070
• ChEMBL ID: CHEMBL2142789
• Mol file: 82558-50-7.mol

Synonyms:EL 107;El-107;isoxaben;N-(3-(1-ethyl-1-methylpropyl)-5-isoxazolyl)-2,6-dimethoxybenzamide

Chemical Property of Isoxaben

Chemical Property:

• Vapor Pressure: 1.59E-07mmHg at 25°C
• Melting Point: 175-179 °C
• Refractive Index: 1.5700 (estimate)
• Boiling Point: 427.8oC at 760 mmHg
• PKA: 11.44±0.70(Predicted)
• Flash Point: 212.6oC
• PSA: 73.59000
• Density: 1.138g/cm3
• LogP: 3.61400
• Storage Temp.: 0-6°C
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 332.17360725
• Heavy Atom Count: 24
• Complexity: 402

Purity/Quality:

99.9% ^*data from raw suppliers

Isoxaben PESTANAL ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 53-40
• Safety Statements: 61-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Pesticides -> Herbicides, Other
• Canonical SMILES: CCC(C)(CC)C1=NOC(=C1)NC(=O)C2=C(C=CC=C2OC)OC
• Uses: Isoxaben is used primarily for preemergence control of annual broadleaf weeds. Isoxaben is usually applied to soil either with light incorporation or before application of water (at least 0.5 in) within 3 weeks. As is the case with DCB, it is most effective on weed seedlings before emergence. Isoxaben is a herbicide residue in tea and other plants. A cellulose biosynthesis inhibitor in plants.

Technology Process of Isoxaben

There total 2 articles about Isoxaben 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: 91.0%

3-(1-ethyl-1-methylpropyl)isoxazol-5-ylamine (82560-06-3) → isoxaben (82558-50-7)

Guidance literature:

In toluene;

Reference yield:

→ isoxaben (82558-50-7)

Guidance literature:

Reference yield: 62.0%

isoxaben (82558-50-7) → 2-6-dimethoxybenzoic acid (1466-76-8) + 2,6-dimethoxybenzamide (21864-67-5) + 2-hydroxy-6-methoxybenzamide (145297-98-9) + 3-(1-ethyl-1-methylpropyl)isoxazolin-5-one (153308-34-0)

Guidance literature:

With hydrogenchloride; In water; acetic acid; for 4h; Heating;

upstream raw materials:

3-(1-ethyl-1-methylpropyl)isoxazol-5-ylamine

Downstream raw materials:

2-6-dimethoxybenzoic acid

2,6-dimethoxybenzamide

2-hydroxy-6-methoxybenzamide

3-(1-ethyl-1-methylpropyl)isoxazolin-5-one

Refernces

• 1、 -. "Solid mixtures based on sulfonylureas and adjuvants". . . Retrieved 2008/06/13.
• 2、 -. "Stable aqueous or aqueous alcoholic dispersion based on derivatives of oxynil, herbicidal composition comprised thereof and selective herbicidal treatment comprising the use of the said herbicidal composition". . . Retrieved 2008/06/13.