Pyribenzoxim

Base Information

• Chemical Name: Pyribenzoxim
• CAS No.: 168088-61-7
• Molecular Formula: C₃₂H₂₇N₅O₈
• Molecular Weight: 609.595
• Hs Code.: 2933599012
• European Community (EC) Number: 605-503-4
• UNII: VBD478968P
• DSSTox Substance ID: DTXSID2057996
• Nikkaji Number: J884.205A
• Wikipedia: Pyribenzoxim
• Wikidata: Q27291746
• Mol file: 168088-61-7.mol

Synonyms:benzophenone O-(2,6-bis(4,6-dimethoxypyrimidin-2-yloxy)benzoyl)oxime;Pyribenzoxim

Chemical Property of Pyribenzoxim

Chemical Property:

• Vapor Pressure: 2.4E-26mmHg at 25°C
• Melting Point: 129 °C
• Boiling Point: 810.8°Cat760mmHg
• PKA: -0.02±0.30(Predicted)
• Flash Point: 444.1°C
• PSA: 145.60000
• Density: 1.3g/cm³
• LogP: 5.49500
• Storage Temp.: 2-8°C
• Solubility.: DMSO (Slightly, Heated), Methanol (Slightly, Heated)
• XLogP3: 6.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 13
• Exact Mass: 609.18596284
• Heavy Atom Count: 45
• Complexity: 849

Purity/Quality:

98% ^*data from raw suppliers

Pyribenzoxim ^*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)ON=C(C4=CC=CC=C4)C5=CC=CC=C5)OC
• Uses: Pyribenzoxim can be used in biological study of production of acetolactate synthase inhibitor herbicide tolerant Brassica napus mutants.

Technology Process of Pyribenzoxim

There total 4 articles about Pyribenzoxim 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: 65.0%

4,6-dimethoxypyrimidin-2-yl methyl sulfone (113583-35-0) + Benzophenone O-[2,6-bis(acetyloxy)benzoyl] oxime (199108-08-2) → O-(2,6-bis(4,6-dimethoxypyrimidin-2-yloxy)benzoyl)oxime dibenzophenone (168088-61-7)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 80 ℃; for 15h;

DOI:10.1002/(SICI)1096-9063(199710)51:2<109::AID-PS585>3.0.CO;2-7

Reference yield:

2,6-Dihydroxybenzoic acid (303-07-1) → O-(2,6-bis(4,6-dimethoxypyrimidin-2-yloxy)benzoyl)oxime dibenzophenone (168088-61-7)

Guidance literature:

Multi-step reaction with 4 steps

1: 2.1 g / 3 h / 80 °C

2: SOCl₂ / CH₂Cl₂ / 2 h / 20 °C

3: 2.7 g / CH₂Cl₂ / 4 h / -20 °C

4: 65 percent / K₂CO₃ / dimethylformamide / 15 h / 80 °C

With thionyl chloride; potassium carbonate; In dichloromethane; N,N-dimethyl-formamide; 1: Esterification / 2: Chlorination / 3: Esterification / 4: Substitution;

DOI:10.1002/(SICI)1096-9063(199710)51:2<109::AID-PS585>3.0.CO;2-7

Reference yield:

2,6-Bis(acetyloxy)benzoic acid (3144-59-0) → O-(2,6-bis(4,6-dimethoxypyrimidin-2-yloxy)benzoyl)oxime dibenzophenone (168088-61-7)

Guidance literature:

Multi-step reaction with 3 steps

1: SOCl₂ / CH₂Cl₂ / 2 h / 20 °C

2: 2.7 g / CH₂Cl₂ / 4 h / -20 °C

3: 65 percent / K₂CO₃ / dimethylformamide / 15 h / 80 °C

With thionyl chloride; potassium carbonate; In dichloromethane; N,N-dimethyl-formamide; 1: Chlorination / 2: Esterification / 3: Substitution;

DOI:10.1002/(SICI)1096-9063(199710)51:2<109::AID-PS585>3.0.CO;2-7

upstream raw materials:

4,6-dimethoxypyrimidin-2-yl methyl sulfone

Benzophenone O-[2,6-bis(acetyloxy)benzoyl] oxime

2,6-Dihydroxybenzoic acid

2,6-Bis(acetyloxy)benzoic acid

Refernces