Bispyribac-sodium

Base Information

• Chemical Name: Bispyribac-sodium
• CAS No.: 125401-92-5
• Molecular Formula: C19H18N4NaO8
• Molecular Weight: 452.356
• European Community (EC) Number: 603-066-4
• Mol file: 125401-92-5.mol

Synonyms:Benzoicacid, 2,6-bis[(4,6-dimethoxy-2-pyrimidinyl)oxy]-, sodium salt (9CI);Designee;KIH 2023;Nominee;Regiment;Short-keep;V 10029;Sodium 2,6-bis[(4,6-dimethoxy-2-pyrimidinyl)oxy]benzoate;Benzoic acid, 2,6-bis[(4,6-dimethoxy-2-pyrimidinyl)oxy]-, sodium salt (1:1);2,6-Bis((4,6-dimethoxy-2-pyrimidinyl)oxy)-benzoic acid sodium salt;

Chemical Property of Bispyribac-sodium

Chemical Property:

• Appearance/Colour: White powder
• Melting Point: 223-224 °C
• Boiling Point: 686.4oC at 760 mmHg
• Flash Point: 368.9oC
• PSA: 147.07000
• Density: 1.379 g/cm3
• LogP: 1.24910
• Storage Temp.: 0-6°C
• Solubility.: DMSO (Slightly, Heated, Sonicated), Methanol (Slightly), Water (Slightly)
• Water Solubility.: 73.3 g/l at 20 ºC
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 9
• Exact Mass: 453.10223283
• Heavy Atom Count: 32
• Complexity: 509

Purity/Quality:

95%TC ^*data from raw suppliers

BispyribacSodium ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36
• Safety Statements: 26

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.[Na]
• Uses: Bispyribac is used as a herbicide for the prevention and control of weeds. Herbicide

Technology Process of Bispyribac-sodium

There total 4 articles about Bispyribac-sodium 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: 98.0%

bispyribac (125401-75-4) → bispyribac sodium salt (125401-92-5)

Guidance literature:

With sodium hydroxide; In ethanol; acetone; at 20 ℃; for 0.333333h; Solvent; Temperature;

Reference yield:

2,6-Dihydroxybenzoic acid (303-07-1) + 4,6-dimethoxypyrimidin-2-yl methyl sulfone (113583-35-0) → bispyribac sodium salt (125401-92-5)

Guidance literature:

2,6-Dihydroxybenzoic acid; With sodium hydride; In dimethyl sulfoxide; mineral oil; at 30 - 32 ℃; for 2h;

4,6-dimethoxypyrimidin-2-yl methyl sulfone; In dimethyl sulfoxide; mineral oil; at 30 - 32 ℃; Concentration; Time;

Reference yield:

4,6-dimethoxy-2-(methylsulfanyl)pyrimidine (90905-46-7) → bispyribac sodium salt (125401-92-5)

Guidance literature:

Multi-step reaction with 2 steps

1.1: sodium tungstate; acetic acid; dihydrogen peroxide / water / 40 °C

2.1: sodium hydride / mineral oil; dimethyl sulfoxide / 2 h / 30 - 32 °C

2.2: 30 - 32 °C

With sodium tungstate; dihydrogen peroxide; sodium hydride; acetic acid; In water; dimethyl sulfoxide; mineral oil;

upstream raw materials:

4,6-dimethoxy-2-(methylsulfanyl)pyrimidine

2,6-Dihydroxybenzoic acid

4,6-dimethoxypyrimidin-2-yl methyl sulfone

bispyribac

Refernces

• 1、 -. "PROCESSES FOR THE PREPARATION OF BISPYRIBAC SODIUM AND INTERMEDIATES THEREOF". . . Retrieved 2014/09/03.