Pyraclostrobin

Base Information

• Chemical Name: Pyraclostrobin
• CAS No.: 175013-18-0
• Molecular Formula: C19H18ClN3O4
• Molecular Weight: 387.823
• European Community (EC) Number: 605-747-1
• UNII: DJW8M9OX1H
• DSSTox Substance ID: DTXSID7032638
• Nikkaji Number: J1.571.715G
• Wikipedia: Pyraclostrobin
• Wikidata: Q1961265
• ChEMBL ID: CHEMBL519873
• Mol file: 175013-18-0.mol

Synonyms:BAS-500F;F 500;F-500;methyl 2-(1-(4-chlorophenyl)pyrazol-3-yloxymethyl)-N-methoxycarbanilate;methyl N-(2-(1-(4-chlorophenyl)-1H-pyrazol-3-yloxymethyl)phenyl)-(N-methoxy)carbamate;pyrachlostrobin;pyraclostrobin

Chemical Property of Pyraclostrobin

Chemical Property:

• Vapor Pressure: 3.59E-10mmHg at 25°C
• Melting Point: 63.7-65.2°
• Boiling Point: 501.1°C at 760 mmHg
• PKA: -0.23±0.10(Predicted)
• Flash Point: 256.8°C
• PSA: 65.82000
• Density: 1.27g/cm³
• LogP: 4.23890
• Storage Temp.: 0-6°C
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 387.0985838
• Heavy Atom Count: 27
• Complexity: 476

Purity/Quality:

95% ^*data from raw suppliers

Pyraclostrobin ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R50/53:
• Hazard Codes: N
• Statements: 50/53
• Safety Statements: 60-61

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Pesticides -> Fungicides
• Canonical SMILES: COC(=O)N(C1=CC=CC=C1COC2=NN(C=C2)C3=CC=C(C=C3)Cl)OC
• Uses: Pyraclostrobin is a fungicide for use in seed grass and food crops. Agricultural fungicide.

Technology Process of Pyraclostrobin

There total 21 articles about Pyraclostrobin 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: 99.0%

N-hydroxy-2-[(N-p-chlorophenyl)-3-pyrazolyloxymethyl]phenylcarbamic acid methyl ester + dimethyl sulfate (77-78-1) → pyraclostrobin (175013-18-0)

Guidance literature:

With potassium hydroxide; In methanol; at 49 ℃; for 1.08333h; Solvent; Temperature; Inert atmosphere; Reflux;

Reference yield: 98.9%

N-hydroxy-2-[(N-p-chlorophenyl)-3-pyrazolyloxymethyl]phenylcarbamic acid methyl ester + methyl iodide (74-88-4) → pyraclostrobin (175013-18-0)

Guidance literature:

N-hydroxy-2-[(N-p-chlorophenyl)-3-pyrazolyloxymethyl]phenylcarbamic acid methyl ester; With triethylamine; In 1,2-dichloro-ethane; at 20 ℃; for 0.25h;

methyl iodide; In 1,2-dichloro-ethane; at 30 ℃; for 3h; Solvent;

Reference yield: 98.6%

methyl bromide (74-83-9) + N-hydroxy-2-[(N-p-chlorophenyl)-3-pyrazolyloxymethyl]phenylcarbamic acid methyl ester → pyraclostrobin (175013-18-0)

Guidance literature:

With potassium carbonate; potassium iodide; In acetone; at 30 - 50 ℃; under 2250.23 - 3750.38 Torr; Solvent;

upstream raw materials:

bromochlorobenzene

methyl N-{2-[(1H-pyrazol-3-yloxy)methyl]phenyl}-N-methoxycarbamate

2-nitrophenylmethyl bromide

1-(para-chlorophenyl)-3-hydroxypyrazole

Downstream raw materials:

C₇H₆O₃*C₁₉H₁₈ClN₃O₄

Refernces

Synthesis of site-heterologous haptens for high-affinity anti-pyraclostrobin antibody generation

10.1039/c0ob00686f

This study investigates the synthesis of site-heterologous haptens for generating high-affinity anti-pyraclostrobin antibodies. The researchers designed and synthesized three functional derivatives of pyraclostrobin (PYo5, PYa6, and PYs5) with spacers attached at different sites to understand their impact on antibody affinity. The haptens were conjugated to carrier proteins and used to immunize rabbits, and the resulting antibodies were evaluated using competitive enzyme-linked immunosorbent assays (cELISA). The study found that haptens PYo5 and PYs5 induced antibodies with higher affinity and selectivity for pyraclostrobin compared to PYa6. Molecular modeling revealed that the spatial orientation and electronic properties of the haptens influenced antibody performance, with PYa6's central linker position causing steric hindrance. The findings highlight the importance of rational hapten design for antibody production and suggest that haptens PYo5 and PYs5 could be useful for developing immunochemical methods for detecting pyraclostrobin in real samples.

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