Imazethapyr

Base Information

• Chemical Name: Imazethapyr
• CAS No.: 81335-77-5
• Molecular Formula: C15H19N3O3
• Molecular Weight: 289.334
• Hs Code.: 29333990
• UNII: 72T2IN94I4
• DSSTox Substance ID: DTXSID3024287
• Nikkaji Number: J126.319F
• Wikidata: Q22808273
• ChEMBL ID: CHEMBL1903400
• Mol file: 81335-77-5.mol

Synonyms:imazethapyr;imazethapyr, amonium salt;imazethapyr-ammonium

Chemical Property of Imazethapyr

Chemical Property:

• Appearance/Colour: off-white to tan solid with a slightly pungent odor
• Melting Point: 169-173 °C
• Refractive Index: 1.5600 (estimate)
• Boiling Point: 446.8 °C at 760 mmHg
• PKA: pK1 2.1; pK2 3.9(at 25℃)
• Flash Point: 224 °C
• PSA: 91.65000
• Density: 1.28 g/cm³
• LogP: 1.39770
• Storage Temp.: 0-6°C
• XLogP3: 2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 289.14264148
• Heavy Atom Count: 21
• Complexity: 475

Purity/Quality:

99.9% ^*data from raw suppliers

Imazethapyr ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Pesticides -> Herbicides, Imidazolinone
• Canonical SMILES: CCC1=CC(=C(N=C1)C2=NC(C(=O)N2)(C)C(C)C)C(=O)O
• Uses: Imazethapyr is a herbicide that that is used in biological studies to evaluate the effect on non-target vegetation within agroecosystems.

Technology Process of Imazethapyr

There total 12 articles about Imazethapyr 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: 96.0%

2-[(1-cyano-1,2-dimethylpropyl)carbamoyl]-5-ethylnicotinic acid → imazethapyr (81335-77-5)

Guidance literature:

2-[(1-cyano-1,2-dimethylpropyl)carbamoyl]-5-ethylnicotinic acid; With sodium hydroxide; In water; for 0.166667h;

With dihydrogen peroxide; In water; at 20 - 90 ℃; for 4.3h;

Reference yield: 85.2%

2-amino-2,3-dimethylbutyramide (40963-14-2) + diethyl 5-ethyl-2,3-pyridinedicarboxylate (105151-39-1) → imazethapyr (81335-77-5)

Guidance literature:

With sodium hydride; In toluene; at 20 ℃; for 0.25h;

DOI:10.3390/90700535

Reference yield:

2-{[(1-carbamoyl-1,2-dimethylpropyl)amino]methyl}-5-ethylnicotinic acid → imazethapyr (81335-77-5)

Guidance literature:

With bromine; sodium; In acetic acid;

upstream raw materials:

2-amino-2,3-dimethylbutyramide

diethyl 5-ethyl-2,3-pyridinedicarboxylate

ethylacrolein

5-ethyl-2,3-pyridinedicarboxylic acid

Downstream raw materials:

C₇H₆O₃*C₁₅H₁₉N₃O₃