Bispyribac

Base Information

• Chemical Name: Bispyribac
• CAS No.: 125401-75-4
• Molecular Formula: C19H18N4O8
• Molecular Weight: 430.374
• Hs Code.: 2933599013
• European Community (EC) Number: 603-065-9
• UNII: 9W20BD966G
• DSSTox Substance ID: DTXSID0043977
• Nikkaji Number: J1.058.092G
• Wikidata: Q27105948
• Metabolomics Workbench ID: 69607
• ChEMBL ID: CHEMBL3306579
• Mol file: 125401-75-4.mol

Synonyms:2,6-bis(4,6-dimethoxypyrimidin-2-yloxy)benzoic acid;bispyribac;bispyribac-sodium;KIH-2023;Nominee

Chemical Property of Bispyribac

Chemical Property:

• Appearance/Colour: white crystal powder
• Melting Point: 223-224℃
• Boiling Point: 686.4 °C at 760 mmHg
• PKA: 1.58±0.50(Predicted)
• Flash Point: 368.9 °C
• PSA: 144.24000
• Density: 1.379 g/cm³
• LogP: 2.58380
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: DMSO (Slightly, Sonicated, Heated), Methanol (Slightly)
• Water Solubility.: 73.3 g/l at 20℃
• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 9
• Exact Mass: 430.11246355
• Heavy Atom Count: 31
• Complexity: 509

Purity/Quality:

99.9% ^*data from raw suppliers

2,6-Bis((4,6-dimethoxypyrimidin-2-yl)oxy)benzoicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=NC(=N1)OC2=C(C(=CC=C2)OC3=NC(=CC(=N3)OC)OC)C(=O)O)OC
• Uses: 2,6-Bis((4,6-dimethoxypyrimidin-2-yl)oxy)benzoic acid is a useful research chemical.

Technology Process of Bispyribac

There total 6 articles about Bispyribac 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%

2,6-Dihydroxybenzoic acid (303-07-1) + 4,6-dimethoxypyrimidin-2-yl methyl sulfone (113583-35-0) → bispyribac (125401-75-4)

Guidance literature:

With tetrabutylammomium bromide; potassium carbonate; In toluene; Reagent/catalyst; Solvent; Reflux;

Reference yield:

4,6-dimethoxypyrimidin-2-yl methyl sulfone (113583-35-0) + benzyl 2,6-dihydroxybenzoate → benzyl 6-(4,6-dimethoxypyrimidin-2-yl)oxysalicylate + bispyribac (125401-75-4)

Guidance literature:

In tetrahydrofuran;

Reference yield:

methyl 2,6-dihydroxybenzoate (2150-45-0) → bispyribac (125401-75-4)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium carbonate / acetone

2: citric acid

With potassium carbonate; citric acid; In acetone;

upstream raw materials:

4,6-dimethoxypyrimidin-2-yl methyl sulfone

2,6-Dihydroxybenzoic acid

methyl 2,6-dihydroxybenzoate

Downstream raw materials:

isopropylidene aminoester of 2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]benzoic acid

bispyribac sodium salt

Refernces

• 1、 -. "Bispyribac derivative, and preparation method and application of bispyribac derivative". . . Retrieved 2017/11/30.
• 2、 -. "Herbicidal composition". . . Retrieved 2008/06/13.