Imazaquin

Base Information

• Chemical Name: Imazaquin
• CAS No.: 81335-37-7
• Molecular Formula: C17H17N3O3
• Molecular Weight: 311.34
• UNII: 8LZY7C31XA
• DSSTox Substance ID: DTXSID3024152
• Nikkaji Number: J364.773K
• Wikipedia: Imazaquin
• Wikidata: Q15303948
• Metabolomics Workbench ID: 67769
• ChEMBL ID: CHEMBL1447880
• Mol file: 81335-37-7.mol

Synonyms:2-(4,5-dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl)-3-quinolinecarboxylic acid;imazaquin;imazaquin, (+)-isomer;imazaquin, (+-)-isomer;imazaquin, (-)-isomer;imazaquin, calcium salt;imazaquin, monoammonium salt;imazaquin, monopotassium salt;imazaquin, monosodium salt;imazaquin-ammonium;imazaquin-sodium

Chemical Property of Imazaquin

Chemical Property:

• Appearance/Colour: white solid
• Vapor Pressure: 6.75E-10mmHg at 25°C
• Melting Point: 219-224 °C
• Refractive Index: 1.662
• Boiling Point: 476.8 °C at 760 mmHg
• PKA: 3.10±0.30(Predicted)
• Flash Point: 242.1 °C
• PSA: 91.65000
• Density: 1.35 g/cm³
• LogP: 1.98850
• Storage Temp.: 0-6°C
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 311.12699141
• Heavy Atom Count: 23
• Complexity: 545

Purity/Quality:

99% ^*data from raw suppliers

Imazaquin ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 21
• Safety Statements: 36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Pesticides -> Herbicides, Imidazolinone
• Canonical SMILES: CC(C)C1(C(=O)NC(=N1)C2=NC3=CC=CC=C3C=C2C(=O)O)C
• Uses: Agricultural chemical.

Technology Process of Imazaquin

There total 8 articles about Imazaquin 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: 85.0%

2-[(1-cyano-1,2-dimethylpropyl)aminocarbonyl]-3-quinolinecarboxylic acid → 2-[4,5-dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-Yl]-3-quinolinecarboxylic acid (81335-37-7)

Guidance literature:

With hydrogenchloride; sodium hydroxide; dihydrogen peroxide; In water;

Reference yield: 83.7%

2-amino-2,3-dimethylbutyramide (40963-14-2) + diethyl quinoline-2,3-dicarboxylate (32413-08-4) → 2-[4,5-dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-Yl]-3-quinolinecarboxylic acid (81335-37-7)

Guidance literature:

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

DOI:10.3390/90700535

Reference yield: 19.0%

racemic 2-amino-2,3-dimethylbutyramide + ethyl 2-trichloromethyl-3-quinolinecarboxylate → 2-[4,5-dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-Yl]-3-quinolinecarboxylic acid (81335-37-7)

Guidance literature:

With hydrogenchloride; sodium hydroxide; potassium carbonate; tetra(n-butyl)ammonium hydrogen sulfate; In dichloromethane; water; toluene;

upstream raw materials:

2-amino-2,3-dimethylbutyramide

diethyl quinoline-2,3-dicarboxylate

2-amino-2,3-dimethylbutyronitrile

Refernces

• 1、 -. "Synergistic herbicidal methods and compositions". . . Retrieved 2008/06/13.
• 2、 -. "Herbicidal mixtures having a synergistic effect". . . Retrieved 2008/06/13.